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

C13H13ClN2 — CID 154635995

IUPACN-(2-chloro-2-pyridin-2-ylethyl)aniline
SMILESClC(CNc1ccccc1)c1ccccn1
InChIInChI=1S/C13H13ClN2/c14-12(13-8-4-5-9-15-13)10-16-11-6-2-1-3-7-11/h1-9,12,16H,10H2
InChIKeyFEOAMFLFFAAOSX-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.47
Rot. Bonds4

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

N-(2-chloro-2-pyridin-2-ylethyl)aniline (PubChem CID 154635995) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is N-(2-chloro-2-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound NameN-(2-chloro-2-pyridin-2-ylethyl)aniline
PubChem CID154635995
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC NameN-(2-chloro-2-pyridin-2-ylethyl)aniline
SMILESClC(CNc1ccccc1)c1ccccn1
InChIInChI=1S/C13H13ClN2/c14-12(13-8-4-5-9-15-13)10-16-11-6-2-1-3-7-11/h1-9,12,16H,10H2
InChIKeyFEOAMFLFFAAOSX-UHFFFAOYSA-N
XLogP3.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-3-pyridin-2-ylpropanoic acid
CID 82366804
2-(dichloromethyl)pyridine;hydrochloride
CID 18385076
1-anilino-3-chloropropan-2-ol
CID 3640254
chloro(pyridin-2-yl)methanamine
CID 22075524
2-(1,3-dichloropropan-2-yl)pyridine
CID 14046520
2-(1-chloro-2,2-dimethylpropyl)pyridine
CID 146396915
N-(2-bromopropyl)aniline
CID 13183607
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
2-(3-chloro-4-methylanilino)-1-pyridin-2-ylethanol
CID 82044991
2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide
CID 126689202
2-fluoro-N'-phenylpropane-1,3-diamine
CID 105433807
2-chloro-1-pyridin-2-ylethanol
CID 22145518

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2-pyridin-2-ylethyl)aniline?
The IUPAC name of N-(2-chloro-2-pyridin-2-ylethyl)aniline (CID 154635995) is N-(2-chloro-2-pyridin-2-ylethyl)aniline.
What is the SMILES notation for N-(2-chloro-2-pyridin-2-ylethyl)aniline?
The canonical SMILES for N-(2-chloro-2-pyridin-2-ylethyl)aniline is ClC(CNc1ccccc1)c1ccccn1.
What is the InChIKey of N-(2-chloro-2-pyridin-2-ylethyl)aniline?
The InChIKey is FEOAMFLFFAAOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2/c14-12(13-8-4-5-9-15-13)10-16-11-6-2-1-3-7-11/h1-9,12,16H,10H2.
What are the key properties of N-(2-chloro-2-pyridin-2-ylethyl)aniline?
N-(2-chloro-2-pyridin-2-ylethyl)aniline has a molecular weight of 232.71 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 154635995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).