4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyridine-3,4-diamine

C16H21N3O — CID 65485063

IUPAC4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyridine-3,4-diamine
SMILESCOc1ccccc1CC(C)N(C)c1ccncc1N
InChIInChI=1S/C16H21N3O/c1-12(10-13-6-4-5-7-16(13)20-3)19(2)15-8-9-18-11-14(15)17/h4-9,11-12H,10,17H2,1-3H3
InChIKeyBSODOGBGFKEHMU-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.74
Rot. Bonds5

About 4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyridine-3,4-diamine

4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyridine-3,4-diamine (PubChem CID 65485063) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyridine-3,4-diamine
PubChem CID65485063
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyridine-3,4-diamine
SMILESCOc1ccccc1CC(C)N(C)c1ccncc1N
InChIInChI=1S/C16H21N3O/c1-12(10-13-6-4-5-7-16(13)20-3)19(2)15-8-9-18-11-14(15)17/h4-9,11-12H,10,17H2,1-3H3
InChIKeyBSODOGBGFKEHMU-UHFFFAOYSA-N
XLogP2.74
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyridine-3,4-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

4-(chloromethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-3-amine
CID 105067487
4-iodo-1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbenzene-1,2-diamine
CID 66080150
2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N-methylpyrazine-2,5-diamine
CID 80653405
4-N-(1-methoxypropan-2-yl)-4-N-methylpyridine-3,4-diamine
CID 61450034
4-N-(1-aminopropan-2-yl)-4-N-methylpyridine-3,4-diamine
CID 82503805
2-iodo-1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbenzene-1,4-diamine
CID 66092748
5-bromo-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyrimidine-2,4-diamine
CID 80829894
2-(aminomethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-4-amine
CID 65484470
4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80829895
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]pyridine-3-carbonitrile
CID 65488782
5-N-[1-(2-methoxyphenyl)propan-2-yl]-5-N,1,3-trimethylpyrazole-4,5-diamine
CID 65485261
[2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-4-pyridinyl]methanol
CID 65487641

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyridine-3,4-diamine?
The IUPAC name of 4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyridine-3,4-diamine (CID 65485063) is 4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyridine-3,4-diamine.
What is the SMILES notation for 4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyridine-3,4-diamine?
The canonical SMILES for 4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyridine-3,4-diamine is COc1ccccc1CC(C)N(C)c1ccncc1N.
What is the InChIKey of 4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyridine-3,4-diamine?
The InChIKey is BSODOGBGFKEHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(10-13-6-4-5-7-16(13)20-3)19(2)15-8-9-18-11-14(15)17/h4-9,11-12H,10,17H2,1-3H3.
What are the key properties of 4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyridine-3,4-diamine?
4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyridine-3,4-diamine has a molecular weight of 271.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyridine-3,4-diamine is sourced from PubChem (CID 65485063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).