N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;methane;1-methoxy-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(5-methylthiophen-2-yl)piperidine;toluene;N,N,4-trimethylaniline

C159H238N16O4S — CID 157082555

About N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;methane;1-methoxy-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(5-methylthiophen-2-yl)piperidine;toluene;N,N,4-trimethylaniline

N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;methane;1-methoxy-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(5-methylthiophen-2-yl)piperidine;toluene;N,N,4-trimethylaniline (PubChem CID 157082555) has the molecular formula C159H238N16O4S and a molecular weight of 2469.83 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;methane;1-methoxy-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(5-methylthiophen-2-yl)piperidine;toluene;N,N,4-trimethylaniline.

Molecular Properties

• Compound Name: N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;methane;1-methoxy-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(5-methylthiophen-2-yl)piperidine;toluene;N,N,4-trimethylaniline
• PubChem CID: 157082555
• Molecular Formula: C159H238N16O4S
• Molecular Weight: 2469.83 g/mol
• Exact Mass: 2467.86
• IUPAC Name: N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;methane;1-methoxy-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(5-methylthiophen-2-yl)piperidine;toluene;N,N,4-trimethylaniline
• SMILES: C.C.CCN1CCN(c2ccc(C)cc2)CC1.CCOCCOc1ccc(C)cc1.COc1ccc(C)cc1.Cc1ccc(CCN2CCCCC2)cc1.Cc1ccc(CN(C)C)cc1.Cc1ccc(CN(C)CC2CCCO2)cc1.Cc1ccc(CN2CCCC(C)(C)C2)cc1.Cc1ccc(N(C)C)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCCCC2)s1.Cc1ccc(N2CCN(C)CC2)cc1.Cc1ccccc1.Cc1cnc(N2CCN(C)CC2)cn1
• InChI: InChI=1S/C15H23N.C14H21NO.C14H21N.C13H20N2.C12H18N2.2C12H17N.C11H16O2.C10H16N4.C10H15NS.C10H15N.C9H13N.C8H10O.C7H8.2CH4/c1-13-5-7-14(8-6-13)11-16-10-4-9-15(2,3)12-16;1-12-5-7-13(8-6-12)10-15(2)11-14-4-3-9-16-14;1-13-5-7-14(8-6-13)9-12-15-10-3-2-4-11-15;1-3-14-8-10-15(11-9-14)13-6-4-12(2)5-7-13;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;2*1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;1-3-12-8-9-13-11-6-4-10(2)5-7-11;1-9-7-12-10(8-11-9)14-5-3-13(2)4-6-14;1-9-5-6-10(12-9)11-7-3-2-4-8-11;1-9-4-6-10(7-5-9)8-11(2)3;1-8-4-6-9(7-5-8)10(2)3;1-7-3-5-8(9-2)6-4-7;1-7-5-3-2-4-6-7;;/h5-8H,4,9-12H2,1-3H3;5-8,14H,3-4,9-11H2,1-2H3;5-8H,2-4,9-12H2,1H3;4-7H,3,8-11H2,1-2H3;3-6H,7-10H2,1-2H3;2*5-8H,2-4,9-10H2,1H3;4-7H,3,8-9H2,1-2H3;7-8H,3-6H2,1-2H3;5-6H,2-4,7-8H2,1H3;4-7H,8H2,1-3H3;4-7H,1-3H3;3-6H,1-2H3;2-6H,1H3;2*1H4
• InChIKey: ADSHZKFJEPJUSD-UHFFFAOYSA-N
• XLogP: 34.48
• TPSA: 108.06 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 25
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2469.83
LogP ≤ 5	34.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;methane;1-methoxy-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(5-methylthiophen-2-yl)piperidine;toluene;N,N,4-trimethylaniline?

The IUPAC name of N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;methane;1-methoxy-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(5-methylthiophen-2-yl)piperidine;toluene;N,N,4-trimethylaniline (CID 157082555) is N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;methane;1-methoxy-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(5-methylthiophen-2-yl)piperidine;toluene;N,N,4-trimethylaniline.

What is the SMILES notation for N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;methane;1-methoxy-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(5-methylthiophen-2-yl)piperidine;toluene;N,N,4-trimethylaniline?

The canonical SMILES for N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;methane;1-methoxy-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(5-methylthiophen-2-yl)piperidine;toluene;N,N,4-trimethylaniline is C.C.CCN1CCN(c2ccc(C)cc2)CC1.CCOCCOc1ccc(C)cc1.COc1ccc(C)cc1.Cc1ccc(CCN2CCCCC2)cc1.Cc1ccc(CN(C)C)cc1.Cc1ccc(CN(C)CC2CCCO2)cc1.Cc1ccc(CN2CCCC(C)(C)C2)cc1.Cc1ccc(N(C)C)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCCCC2)s1.Cc1ccc(N2CCN(C)CC2)cc1.Cc1ccccc1.Cc1cnc(N2CCN(C)CC2)cn1.

What is the InChIKey of N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;methane;1-methoxy-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(5-methylthiophen-2-yl)piperidine;toluene;N,N,4-trimethylaniline?

The InChIKey is ADSHZKFJEPJUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C14H21NO.C14H21N.C13H20N2.C12H18N2.2C12H17N.C11H16O2.C10H16N4.C10H15NS.C10H15N.C9H13N.C8H10O.C7H8.2CH4/c1-13-5-7-14(8-6-13)11-16-10-4-9-15(2,3)12-16;1-12-5-7-13(8-6-12)10-15(2)11-14-4-3-9-16-14;1-13-5-7-14(8-6-13)9-12-15-10-3-2-4-11-15;1-3-14-8-10-15(11-9-14)13-6-4-12(2)5-7-13;1-11-3-5-12(6-4-11)14-9-7-13(2)8-10-14;2*1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;1-3-12-8-9-13-11-6-4-10(2)5-7-11;1-9-7-12-10(8-11-9)14-5-3-13(2)4-6-14;1-9-5-6-10(12-9)11-7-3-2-4-8-11;1-9-4-6-10(7-5-9)8-11(2)3;1-8-4-6-9(7-5-8)10(2)3;1-7-3-5-8(9-2)6-4-7;1-7-5-3-2-4-6-7;;/h5-8H,4,9-12H2,1-3H3;5-8,14H,3-4,9-11H2,1-2H3;5-8H,2-4,9-12H2,1H3;4-7H,3,8-11H2,1-2H3;3-6H,7-10H2,1-2H3;2*5-8H,2-4,9-10H2,1H3;4-7H,3,8-9H2,1-2H3;7-8H,3-6H2,1-2H3;5-6H,2-4,7-8H2,1H3;4-7H,8H2,1-3H3;4-7H,1-3H3;3-6H,1-2H3;2-6H,1H3;2*1H4.

What are the key properties of N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;methane;1-methoxy-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(5-methylthiophen-2-yl)piperidine;toluene;N,N,4-trimethylaniline?

N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;methane;1-methoxy-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(5-methylthiophen-2-yl)piperidine;toluene;N,N,4-trimethylaniline has a molecular weight of 2469.83 g/mol, XLogP of 34.48, 25 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;1-ethyl-4-(4-methylphenyl)piperazine;methane;1-methoxy-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;1-methyl-4-(4-methylphenyl)piperazine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-[2-(4-methylphenyl)ethyl]piperidine;bis(1-(4-methylphenyl)piperidine);1-(5-methylthiophen-2-yl)piperidine;toluene;N,N,4-trimethylaniline is sourced from PubChem (CID 157082555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).