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

C13H22N2O — CID 115222301

IUPAC1-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
SMILESCNC(C)(C)CNCc1ccccc1OC
InChIInChI=1S/C13H22N2O/c1-13(2,14-3)10-15-9-11-7-5-6-8-12(11)16-4/h5-8,14-15H,9-10H2,1-4H3
InChIKeyRQYINNOEQWOTID-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.78
Rot. Bonds6

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

1-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 115222301) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
PubChem CID115222301
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
SMILESCNC(C)(C)CNCc1ccccc1OC
InChIInChI=1S/C13H22N2O/c1-13(2,14-3)10-15-9-11-7-5-6-8-12(11)16-4/h5-8,14-15H,9-10H2,1-4H3
InChIKeyRQYINNOEQWOTID-UHFFFAOYSA-N
XLogP1.78
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-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-N-[2-(2-methoxyphenyl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222479
1-N-[(2,5-dimethoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222214
N-[(2-methoxyphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28625170
1-[(2-methoxyphenyl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468456
N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine
CID 14914753
N-[(2-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 62834293
N-[(2-methoxyphenyl)methyl]prop-2-en-1-amine
CID 4722320
N-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide
CID 75531292
1-(2-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 79889709
1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine
CID 174192701
1-(3,3-dimethylbutyl)-2-methoxybenzene
CID 15437580
N-tert-butyl-N'-[(2-methoxyphenyl)methyl]-1-phenylethane-1,2-diamine
CID 67641775

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine (CID 115222301) is 1-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine is CNC(C)(C)CNCc1ccccc1OC.
What is the InChIKey of 1-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is RQYINNOEQWOTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2,14-3)10-15-9-11-7-5-6-8-12(11)16-4/h5-8,14-15H,9-10H2,1-4H3.
What are the key properties of 1-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
1-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115222301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).