N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine

C13H13ClN2 — CID 141011393

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine
SMILESC[C@@H](Nc1ccncc1)c1ccccc1Cl
InChIInChI=1S/C13H13ClN2/c1-10(12-4-2-3-5-13(12)14)16-11-6-8-15-9-7-11/h2-10H,1H3,(H,15,16)/t10-/m1/s1
InChIKeyWOMURYSVRMCQQO-SNVBAGLBSA-N
MW232.71 g/mol
LogP3.91
Rot. Bonds3

About N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine

N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine (PubChem CID 141011393) has the molecular formula C13H13ClN2 and a molecular weight of 232.71 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine
PubChem CID141011393
Molecular FormulaC13H13ClN2
Molecular Weight232.71 g/mol
Exact Mass232.08
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine
SMILESC[C@@H](Nc1ccncc1)c1ccccc1Cl
InChIInChI=1S/C13H13ClN2/c1-10(12-4-2-3-5-13(12)14)16-11-6-8-15-9-7-11/h2-10H,1H3,(H,15,16)/t10-/m1/s1
InChIKeyWOMURYSVRMCQQO-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

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Related Compounds

3-chloro-N-[1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 79769972
N-[(1R)-1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 94222755
6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine
CID 113228015
N-[1-(2-chlorophenyl)ethyl]-3-iodoaniline
CID 43088325
N-[1-(2-chlorophenyl)ethyl]-4-pyrrolidin-1-ylaniline
CID 43226933
3-N-[1-(2-chlorophenyl)ethyl]-5-methylbenzene-1,3-diamine
CID 112647468
N-[1-(2-chlorophenyl)ethyl]-6-methoxypyridin-3-amine
CID 43189825
N-[1-(2-chlorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43206395
(1S)-1-(2-chlorophenyl)-N-methylethanamine
CID 30073865
5-[1-(2-chlorophenyl)ethylamino]pyridine-2-carbonitrile
CID 79840053
N-[1-(2-chlorophenyl)ethyl]-2-methoxypyridin-3-amine
CID 43721825
N-[1-(2-chlorophenyl)ethyl]-3-methoxyaniline
CID 43179240

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine (CID 141011393) is N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine is C[C@@H](Nc1ccncc1)c1ccccc1Cl.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine?
The InChIKey is WOMURYSVRMCQQO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H13ClN2/c1-10(12-4-2-3-5-13(12)14)16-11-6-8-15-9-7-11/h2-10H,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine?
N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine 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 N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine is sourced from PubChem (CID 141011393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).