N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)piperidine;1-(5-methylthiophen-2-yl)piperidine;N,N,4-trimethylaniline

C127H192N16O3S — CID 159925657

About N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)piperidine;1-(5-methylthiophen-2-yl)piperidine;N,N,4-trimethylaniline

N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)piperidine;1-(5-methylthiophen-2-yl)piperidine;N,N,4-trimethylaniline (PubChem CID 159925657) has the molecular formula C127H192N16O3S and a molecular weight of 2023.11 g/mol. Its IUPAC name is N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)piperidine;1-(5-methylthiophen-2-yl)piperidine;N,N,4-trimethylaniline.

Molecular Properties

• Compound Name: N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)piperidine;1-(5-methylthiophen-2-yl)piperidine;N,N,4-trimethylaniline
• PubChem CID: 159925657
• Molecular Formula: C127H192N16O3S
• Molecular Weight: 2023.11 g/mol
• Exact Mass: 2021.51
• IUPAC Name: N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)piperidine;1-(5-methylthiophen-2-yl)piperidine;N,N,4-trimethylaniline
• SMILES: CCOCCOc1ccc(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)s1.Cc1ccc(N2CCN(C)CC2)cn1.Cc1ccc(NCCN(C)C)cc1.Cc1cnc(N2CCN(C)CC2)cn1
• InChI: InChI=1S/C15H23N.C14H21NO.C14H21N.C12H17N.C11H17N3.C11H18N2.C11H16O2.C10H16N4.C10H15NS.C10H15N.C9H13N/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;1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;1-10-3-4-11(9-12-10)14-7-5-13(2)6-8-14;1-10-4-6-11(7-5-10)12-8-9-13(2)3;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/h5-8H,4,9-12H2,1-3H3;5-8,14H,3-4,9-11H2,1-2H3;5-8H,2-4,9-12H2,1H3;5-8H,2-4,9-10H2,1H3;3-4,9H,5-8H2,1-2H3;4-7,12H,8-9H2,1-3H3;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
• InChIKey: NYZBXSDKLAGDRS-UHFFFAOYSA-N
• XLogP: 25.45
• TPSA: 117.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2023.11
LogP ≤ 5	25.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

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-N-(4-methylphenyl)ethane-1,2-diamine;N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)piperidine;1-(5-methylthiophen-2-yl)piperidine;N,N,4-trimethylaniline?

The IUPAC name of N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)piperidine;1-(5-methylthiophen-2-yl)piperidine;N,N,4-trimethylaniline (CID 159925657) is N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)piperidine;1-(5-methylthiophen-2-yl)piperidine;N,N,4-trimethylaniline.

What is the SMILES notation for N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)piperidine;1-(5-methylthiophen-2-yl)piperidine;N,N,4-trimethylaniline?

The canonical SMILES for N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)piperidine;1-(5-methylthiophen-2-yl)piperidine;N,N,4-trimethylaniline is CCOCCOc1ccc(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)s1.Cc1ccc(N2CCN(C)CC2)cn1.Cc1ccc(NCCN(C)C)cc1.Cc1cnc(N2CCN(C)CC2)cn1.

What is the InChIKey of N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)piperidine;1-(5-methylthiophen-2-yl)piperidine;N,N,4-trimethylaniline?

The InChIKey is NYZBXSDKLAGDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C14H21NO.C14H21N.C12H17N.C11H17N3.C11H18N2.C11H16O2.C10H16N4.C10H15NS.C10H15N.C9H13N/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;1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;1-10-3-4-11(9-12-10)14-7-5-13(2)6-8-14;1-10-4-6-11(7-5-10)12-8-9-13(2)3;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/h5-8H,4,9-12H2,1-3H3;5-8,14H,3-4,9-11H2,1-2H3;5-8H,2-4,9-12H2,1H3;5-8H,2-4,9-10H2,1H3;3-4,9H,5-8H2,1-2H3;4-7,12H,8-9H2,1-3H3;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.

What are the key properties of N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)piperidine;1-(5-methylthiophen-2-yl)piperidine;N,N,4-trimethylaniline?

N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)piperidine;1-(5-methylthiophen-2-yl)piperidine;N,N,4-trimethylaniline has a molecular weight of 2023.11 g/mol, XLogP of 25.45, 25 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N',N'-dimethyl-N-(4-methylphenyl)ethane-1,2-diamine;N,N-dimethyl-1-(4-methylphenyl)methanamine;3,3-dimethyl-1-[(4-methylphenyl)methyl]piperidine;1-(2-ethoxyethoxy)-4-methylbenzene;N-methyl-N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;2-methyl-5-(4-methylpiperazin-1-yl)pyrazine;1-methyl-4-(6-methyl-3-pyridinyl)piperazine;1-[2-(4-methylphenyl)ethyl]piperidine;1-(4-methylphenyl)piperidine;1-(5-methylthiophen-2-yl)piperidine;N,N,4-trimethylaniline is sourced from PubChem (CID 159925657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).