4-chloro-N-(1-pyridin-2-ylethyl)aniline

C13H13ClN2 — CID 43194293

IUPAC4-chloro-N-(1-pyridin-2-ylethyl)aniline
SMILESCC(Nc1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C13H13ClN2/c1-10(13-4-2-3-9-15-13)16-12-7-5-11(14)6-8-12/h2-10,16H,1H3
InChIKeyCZSKEQPLRFMXKR-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.91
Rot. Bonds3

About 4-chloro-N-(1-pyridin-2-ylethyl)aniline

4-chloro-N-(1-pyridin-2-ylethyl)aniline (PubChem CID 43194293) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 4-chloro-N-(1-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(1-pyridin-2-ylethyl)aniline
PubChem CID43194293
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name4-chloro-N-(1-pyridin-2-ylethyl)aniline
SMILESCC(Nc1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C13H13ClN2/c1-10(13-4-2-3-9-15-13)16-12-7-5-11(14)6-8-12/h2-10,16H,1H3
InChIKeyCZSKEQPLRFMXKR-UHFFFAOYSA-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

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Related Compounds

3-chloro-4-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 43119234
4-(1-pyridin-2-ylethylamino)phenol
CID 43742707
1-(4-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202325
N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)aniline
CID 43192853
3-bromo-4-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 113354964
3-chloro-5-fluoro-N-(1-pyridin-2-ylethyl)aniline
CID 113347242
4-chloro-1-N,1-N-dimethyl-2-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
CID 43741094
4-chloro-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
CID 43524369
2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 43689899
3,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43195401
1-(4-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]propan-1-amine
CID 81401492
1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 79040070

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-pyridin-2-ylethyl)aniline?
The IUPAC name of 4-chloro-N-(1-pyridin-2-ylethyl)aniline (CID 43194293) is 4-chloro-N-(1-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 4-chloro-N-(1-pyridin-2-ylethyl)aniline?
The canonical SMILES for 4-chloro-N-(1-pyridin-2-ylethyl)aniline is CC(Nc1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of 4-chloro-N-(1-pyridin-2-ylethyl)aniline?
The InChIKey is CZSKEQPLRFMXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c1-10(13-4-2-3-9-15-13)16-12-7-5-11(14)6-8-12/h2-10,16H,1H3.
What are the key properties of 4-chloro-N-(1-pyridin-2-ylethyl)aniline?
4-chloro-N-(1-pyridin-2-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 4-chloro-N-(1-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 43194293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).