3-chloro-N-[(1R)-1-pyridin-4-ylethyl]aniline

C13H13ClN2 — CID 40545594

IUPAC3-chloro-N-[(1R)-1-pyridin-4-ylethyl]aniline
SMILESC[C@@H](Nc1cccc(Cl)c1)c1ccncc1
InChIInChI=1S/C13H13ClN2/c1-10(11-5-7-15-8-6-11)16-13-4-2-3-12(14)9-13/h2-10,16H,1H3/t10-/m1/s1
InChIKeyLTXCKOQWPDAXTP-SNVBAGLBSA-N
MW232.71 g/mol
LogP3.91
Rot. Bonds3

About 3-chloro-N-[(1R)-1-pyridin-4-ylethyl]aniline

3-chloro-N-[(1R)-1-pyridin-4-ylethyl]aniline (PubChem CID 40545594) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 3-chloro-N-[(1R)-1-pyridin-4-ylethyl]aniline.

Molecular Properties

Compound Name3-chloro-N-[(1R)-1-pyridin-4-ylethyl]aniline
PubChem CID40545594
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name3-chloro-N-[(1R)-1-pyridin-4-ylethyl]aniline
SMILESC[C@@H](Nc1cccc(Cl)c1)c1ccncc1
InChIInChI=1S/C13H13ClN2/c1-10(11-5-7-15-8-6-11)16-13-4-2-3-12(14)9-13/h2-10,16H,1H3/t10-/m1/s1
InChIKeyLTXCKOQWPDAXTP-SNVBAGLBSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-[(1R)-1-pyridin-4-ylethyl]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

3,5-dichloro-N-[(1S)-1-pyridin-4-ylethyl]aniline
CID 40545562
3-N-(1-pyridin-4-ylethyl)benzene-1,3-diamine
CID 43524021
3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline
CID 43762049
3-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 43098367
3-(1-pyridin-4-ylethylamino)benzenesulfonamide
CID 43193565
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
2,6-dichloro-4-(1-pyridin-4-ylethylamino)phenol
CID 107678914
2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43192035
2,4,6-trichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43126484
3-bromo-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43100997
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
3-(1,3,4-oxadiazol-2-yl)-N-(1-pyridin-4-ylethyl)aniline
CID 43206444

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R)-1-pyridin-4-ylethyl]aniline?
The IUPAC name of 3-chloro-N-[(1R)-1-pyridin-4-ylethyl]aniline (CID 40545594) is 3-chloro-N-[(1R)-1-pyridin-4-ylethyl]aniline.
What is the SMILES notation for 3-chloro-N-[(1R)-1-pyridin-4-ylethyl]aniline?
The canonical SMILES for 3-chloro-N-[(1R)-1-pyridin-4-ylethyl]aniline is C[C@@H](Nc1cccc(Cl)c1)c1ccncc1.
What is the InChIKey of 3-chloro-N-[(1R)-1-pyridin-4-ylethyl]aniline?
The InChIKey is LTXCKOQWPDAXTP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H13ClN2/c1-10(11-5-7-15-8-6-11)16-13-4-2-3-12(14)9-13/h2-10,16H,1H3/t10-/m1/s1.
What are the key properties of 3-chloro-N-[(1R)-1-pyridin-4-ylethyl]aniline?
3-chloro-N-[(1R)-1-pyridin-4-ylethyl]aniline has a molecular weight of 232.71 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R)-1-pyridin-4-ylethyl]aniline is sourced from PubChem (CID 40545594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).