1-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine;oxalic acid

C18H21NO5 — CID 17367818

IUPAC1-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine;oxalic acid
SMILESCOc1ccc(CNCc2cccc(C)c2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C16H19NO.C2H2O4/c1-13-4-3-5-15(10-13)12-17-11-14-6-8-16(18-2)9-7-14;3-1(4)2(5)6/h3-10,17H,11-12H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyVOOHFDPPZCKIFH-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.45
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine;oxalic acid

1-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine;oxalic acid (PubChem CID 17367818) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine;oxalic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine;oxalic acid
PubChem CID17367818
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name1-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine;oxalic acid
SMILESCOc1ccc(CNCc2cccc(C)c2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C16H19NO.C2H2O4/c1-13-4-3-5-15(10-13)12-17-11-14-6-8-16(18-2)9-7-14;3-1(4)2(5)6/h3-10,17H,11-12H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyVOOHFDPPZCKIFH-UHFFFAOYSA-N
XLogP2.45
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 2063770
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid
CID 17365906
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
N-[2-(4-methoxyphenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984688
2-[4-[(4-methoxyphenyl)methylamino]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 42852652
2-methoxy-6-[[(4-methoxyphenyl)methylamino]methyl]phenol;oxalic acid
CID 163327227
3-[[[4-(3,5-dimethoxyphenoxy)phenyl]methylamino]methyl]benzoic acid
CID 166380700
N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255947
(Z)-2-methyl-4-[(3-methylphenyl)methylamino]but-2-enoic acid
CID 103239916
methyl 4-[[(3-methoxyphenyl)methylamino]methyl]benzoate
CID 60676710
N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54940038
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(3-methylphenyl)methylamino]ethanone
CID 108996776

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine;oxalic acid?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine;oxalic acid (CID 17367818) is 1-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine;oxalic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine;oxalic acid?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine;oxalic acid is COc1ccc(CNCc2cccc(C)c2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine;oxalic acid?
The InChIKey is VOOHFDPPZCKIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.C2H2O4/c1-13-4-3-5-15(10-13)12-17-11-14-6-8-16(18-2)9-7-14;3-1(4)2(5)6/h3-10,17H,11-12H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 1-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine;oxalic acid?
1-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine;oxalic acid has a molecular weight of 331.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine;oxalic acid is sourced from PubChem (CID 17367818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).