N-[(4-methoxyphenyl)methyl]-N-methyl-1-pyridin-2-ylethane-1,2-diamine

C16H21N3O — CID 61419935

IUPACN-[(4-methoxyphenyl)methyl]-N-methyl-1-pyridin-2-ylethane-1,2-diamine
SMILESCOc1ccc(CN(C)C(CN)c2ccccn2)cc1
InChIInChI=1S/C16H21N3O/c1-19(12-13-6-8-14(20-2)9-7-13)16(11-17)15-5-3-4-10-18-15/h3-10,16H,11-12,17H2,1-2H3
InChIKeyZWZWAWKUNXJZEO-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.22
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-N-methyl-1-pyridin-2-ylethane-1,2-diamine

N-[(4-methoxyphenyl)methyl]-N-methyl-1-pyridin-2-ylethane-1,2-diamine (PubChem CID 61419935) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methyl-1-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methyl-1-pyridin-2-ylethane-1,2-diamine
PubChem CID61419935
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methyl-1-pyridin-2-ylethane-1,2-diamine
SMILESCOc1ccc(CN(C)C(CN)c2ccccn2)cc1
InChIInChI=1S/C16H21N3O/c1-19(12-13-6-8-14(20-2)9-7-13)16(11-17)15-5-3-4-10-18-15/h3-10,16H,11-12,17H2,1-2H3
InChIKeyZWZWAWKUNXJZEO-UHFFFAOYSA-N
XLogP2.22
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-methoxyphenyl)methyl]-N-methyl-1-pyridin-2-ylethane-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

1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420601
1-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420556
1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420412
3-(4-methoxyphenoxy)-2-pyridin-2-ylpropan-1-amine
CID 112516627
2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420599
2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine
CID 61420508
3,3,3-trifluoro-2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420445
N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 43822937
N-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine
CID 61420129
N-[(4-chlorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylethane-1,2-diamine
CID 61415124
2-N-[(4-methoxyphenyl)methyl]-2-N,3,3-trimethylbutane-1,2-diamine
CID 61420505
3-[[(2-methoxy-1-pyridin-2-ylethyl)-methylamino]methyl]phenol
CID 131894922

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-1-pyridin-2-ylethane-1,2-diamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-1-pyridin-2-ylethane-1,2-diamine (CID 61419935) is N-[(4-methoxyphenyl)methyl]-N-methyl-1-pyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methyl-1-pyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methyl-1-pyridin-2-ylethane-1,2-diamine is COc1ccc(CN(C)C(CN)c2ccccn2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methyl-1-pyridin-2-ylethane-1,2-diamine?
The InChIKey is ZWZWAWKUNXJZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19(12-13-6-8-14(20-2)9-7-13)16(11-17)15-5-3-4-10-18-15/h3-10,16H,11-12,17H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methyl-1-pyridin-2-ylethane-1,2-diamine?
N-[(4-methoxyphenyl)methyl]-N-methyl-1-pyridin-2-ylethane-1,2-diamine has a molecular weight of 271.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methyl-1-pyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 61419935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).