N-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine

C17H22N2O — CID 61420129

IUPACN-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine
SMILESCOc1cccc(CN(C)C(CN)c2ccccc2)c1
InChIInChI=1S/C17H22N2O/c1-19(13-14-7-6-10-16(11-14)20-2)17(12-18)15-8-4-3-5-9-15/h3-11,17H,12-13,18H2,1-2H3
InChIKeyIZHISKUZGMAEEY-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.83
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine

N-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine (PubChem CID 61420129) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine
PubChem CID61420129
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine
SMILESCOc1cccc(CN(C)C(CN)c2ccccc2)c1
InChIInChI=1S/C17H22N2O/c1-19(13-14-7-6-10-16(11-14)20-2)17(12-18)15-8-4-3-5-9-15/h3-11,17H,12-13,18H2,1-2H3
InChIKeyIZHISKUZGMAEEY-UHFFFAOYSA-N
XLogP2.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine 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

N-[(3-methoxyphenyl)methyl]-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 61419943
N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 61415124
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420082
3-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 61420033
N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 43822937
1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420412
1-(3-methoxyphenyl)-N-(3-methoxypropyl)-N-methylethane-1,2-diamine
CID 55141844
1-[[2-amino-1-(3-methoxyphenyl)ethyl]-methylamino]-2-methylpropan-2-ol
CID 79384884
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
2-N-[(3-methoxyphenyl)methyl]-2-N-methyloctane-1,2-diamine
CID 61420511
N-benzyl-1-(3,5-difluorophenyl)-N-methylethane-1,2-diamine
CID 106528482
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420601

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine (CID 61420129) is N-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine is COc1cccc(CN(C)C(CN)c2ccccc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine?
The InChIKey is IZHISKUZGMAEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19(13-14-7-6-10-16(11-14)20-2)17(12-18)15-8-4-3-5-9-15/h3-11,17H,12-13,18H2,1-2H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine?
N-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine has a molecular weight of 270.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 61420129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).