4-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine

C18H23N3 — CID 105073452

IUPAC4-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine
SMILESCc1ccc(N(C)c2cnccc2CNC2CC2)c(C)c1
InChIInChI=1S/C18H23N3/c1-13-4-7-17(14(2)10-13)21(3)18-12-19-9-8-15(18)11-20-16-5-6-16/h4,7-10,12,16,20H,5-6,11H2,1-3H3
InChIKeyQBXCOKDFVLFLNW-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.72
Rot. Bonds5

About 4-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine

4-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine (PubChem CID 105073452) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine
PubChem CID105073452
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name4-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine
SMILESCc1ccc(N(C)c2cnccc2CNC2CC2)c(C)c1
InChIInChI=1S/C18H23N3/c1-13-4-7-17(14(2)10-13)21(3)18-12-19-9-8-15(18)11-20-16-5-6-16/h4,7-10,12,16,20H,5-6,11H2,1-3H3
InChIKeyQBXCOKDFVLFLNW-UHFFFAOYSA-N
XLogP3.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine 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

3-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-4-amine
CID 81249862
5-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyrazin-2-amine
CID 107379665
4-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 105073052
4-[(cyclopropylamino)methyl]-N-ethyl-N-(4-methylphenyl)pyridin-3-amine
CID 105073338
4-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-3-amine
CID 105072999
N-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-N-methylpyridin-4-amine
CID 81246461
6-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine
CID 62293980
3-(N,2,4-trimethylanilino)pyridine-4-carbothioamide
CID 114288445
N-[[4-methyl-2-(pyridin-3-ylmethyl)phenyl]methyl]cyclopropanamine
CID 104736915
N-[[4-(2-bromo-4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81250448
3-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine
CID 114699208
N-[[3-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075531

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine (CID 105073452) is 4-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine is Cc1ccc(N(C)c2cnccc2CNC2CC2)c(C)c1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine?
The InChIKey is QBXCOKDFVLFLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13-4-7-17(14(2)10-13)21(3)18-12-19-9-8-15(18)11-20-16-5-6-16/h4,7-10,12,16,20H,5-6,11H2,1-3H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine?
4-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine has a molecular weight of 281.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine is sourced from PubChem (CID 105073452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).