3-chloro-N-methyl-2-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline

C17H22ClN3 — CID 43563633

IUPAC3-chloro-N-methyl-2-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline
SMILESCCCNCc1c(Cl)cccc1N(C)Cc1cccnc1
InChIInChI=1S/C17H22ClN3/c1-3-9-19-12-15-16(18)7-4-8-17(15)21(2)13-14-6-5-10-20-11-14/h4-8,10-11,19H,3,9,12-13H2,1-2H3
InChIKeyVFLWCJSIWFXWEW-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.87
Rot. Bonds7

About 3-chloro-N-methyl-2-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline

3-chloro-N-methyl-2-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline (PubChem CID 43563633) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 3-chloro-N-methyl-2-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-methyl-2-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline
PubChem CID43563633
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name3-chloro-N-methyl-2-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline
SMILESCCCNCc1c(Cl)cccc1N(C)Cc1cccnc1
InChIInChI=1S/C17H22ClN3/c1-3-9-19-12-15-16(18)7-4-8-17(15)21(2)13-14-6-5-10-20-11-14/h4-8,10-11,19H,3,9,12-13H2,1-2H3
InChIKeyVFLWCJSIWFXWEW-UHFFFAOYSA-N
XLogP3.87
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-chloro-N-methyl-2-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline 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-chloro-2-(chloromethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563593
2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563639
N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 114319478
2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43563618
N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 21233303
N-[(2-chloro-6-pyridin-3-yloxyphenyl)methyl]propan-1-amine
CID 43283704
3-chloro-N-methyl-2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 43564469
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865
N-[[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62434151
N-[(4-chlorophenyl)methyl]-N-methyl-4-(propylaminomethyl)pyridin-3-amine
CID 105073646
N-methyl-N-[(3-methylphenyl)methyl]-3-(propylaminomethyl)pyridin-4-amine
CID 81253106
2-chloro-N-methyl-4-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline
CID 81147194

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-2-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 3-chloro-N-methyl-2-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline (CID 43563633) is 3-chloro-N-methyl-2-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 3-chloro-N-methyl-2-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 3-chloro-N-methyl-2-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline is CCCNCc1c(Cl)cccc1N(C)Cc1cccnc1.
What is the InChIKey of 3-chloro-N-methyl-2-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is VFLWCJSIWFXWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-3-9-19-12-15-16(18)7-4-8-17(15)21(2)13-14-6-5-10-20-11-14/h4-8,10-11,19H,3,9,12-13H2,1-2H3.
What are the key properties of 3-chloro-N-methyl-2-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline?
3-chloro-N-methyl-2-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 303.84 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-2-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 43563633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).