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

C13H13ClN2 — CID 43194712

IUPAC2-chloro-N-(1-pyridin-4-ylethyl)aniline
SMILESCC(Nc1ccccc1Cl)c1ccncc1
InChIInChI=1S/C13H13ClN2/c1-10(11-6-8-15-9-7-11)16-13-5-3-2-4-12(13)14/h2-10,16H,1H3
InChIKeyNEDZMGWZEODEDU-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.91
Rot. Bonds3

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

2-chloro-N-(1-pyridin-4-ylethyl)aniline (PubChem CID 43194712) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-chloro-N-(1-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(1-pyridin-4-ylethyl)aniline
PubChem CID43194712
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC Name2-chloro-N-(1-pyridin-4-ylethyl)aniline
SMILESCC(Nc1ccccc1Cl)c1ccncc1
InChIInChI=1S/C13H13ClN2/c1-10(11-6-8-15-9-7-11)16-13-5-3-2-4-12(13)14/h2-10,16H,1H3
InChIKeyNEDZMGWZEODEDU-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-2-fluoro-N-(1-pyridin-4-ylethyl)aniline
CID 43122983
2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43192035
2,4,5-trichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43096623
2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 66251849
N-(2-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine
CID 82131040
2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 104726127
3-chloro-2-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine
CID 43524029
2-propyl-N-(1-pyridin-4-ylethyl)aniline
CID 43687389
2-(1-pyridin-4-ylethylamino)benzenecarbothioamide
CID 43524170
2-[(dimethylamino)methyl]-N-(1-pyridin-4-ylethyl)aniline
CID 43750176
1-[3-chloro-4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyridin-4-ylurea
CID 52501243
2,4,6-trichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43126484

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-pyridin-4-ylethyl)aniline?
The IUPAC name of 2-chloro-N-(1-pyridin-4-ylethyl)aniline (CID 43194712) is 2-chloro-N-(1-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 2-chloro-N-(1-pyridin-4-ylethyl)aniline?
The canonical SMILES for 2-chloro-N-(1-pyridin-4-ylethyl)aniline is CC(Nc1ccccc1Cl)c1ccncc1.
What is the InChIKey of 2-chloro-N-(1-pyridin-4-ylethyl)aniline?
The InChIKey is NEDZMGWZEODEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c1-10(11-6-8-15-9-7-11)16-13-5-3-2-4-12(13)14/h2-10,16H,1H3.
What are the key properties of 2-chloro-N-(1-pyridin-4-ylethyl)aniline?
2-chloro-N-(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 2-chloro-N-(1-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 43194712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).