[5-chloro-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine

C16H18ClN3 — CID 62492795

IUPAC[5-chloro-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1N1CCCC1c1ccncc1
InChIInChI=1S/C16H18ClN3/c17-14-3-4-16(13(10-14)11-18)20-9-1-2-15(20)12-5-7-19-8-6-12/h3-8,10,15H,1-2,9,11,18H2
InChIKeyLHFJUWOQLNPKME-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.54
Rot. Bonds3

About [5-chloro-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine

[5-chloro-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine (PubChem CID 62492795) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is [5-chloro-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[5-chloro-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine
PubChem CID62492795
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name[5-chloro-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine
SMILESNCc1cc(Cl)ccc1N1CCCC1c1ccncc1
InChIInChI=1S/C16H18ClN3/c17-14-3-4-16(13(10-14)11-18)20-9-1-2-15(20)12-5-7-19-8-6-12/h3-8,10,15H,1-2,9,11,18H2
InChIKeyLHFJUWOQLNPKME-UHFFFAOYSA-N
XLogP3.54
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine
CID 62308633
[2-chloro-6-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine
CID 62500745
[4-methoxy-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine
CID 81296520
1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidine-2-carboxamide
CID 62493299
[2-(azepan-1-yl)-5-chlorophenyl]methanamine
CID 62493124
3-amino-4-(2-pyridin-4-ylpyrrolidin-1-yl)benzonitrile
CID 43578240
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine
CID 71176112
[5-chloro-2-(3-methylpiperidin-1-yl)phenyl]methanamine
CID 10586057
[5-chloro-2-[3-(methoxymethyl)piperidin-1-yl]phenyl]methanamine
CID 106585917
[4-methyl-2-(2-phenylpyrrolidin-1-yl)phenyl]methanamine
CID 62308459
4-[(2S)-1-(4-fluoro-2-nitrophenyl)pyrrolidin-2-yl]pyridine
CID 125136131
1-ethyl-3-methyl-5-(2-pyridin-4-ylpyrrolidin-1-yl)pyrazol-4-amine
CID 66011453

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine?
The IUPAC name of [5-chloro-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine (CID 62492795) is [5-chloro-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [5-chloro-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine?
The canonical SMILES for [5-chloro-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine is NCc1cc(Cl)ccc1N1CCCC1c1ccncc1.
What is the InChIKey of [5-chloro-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine?
The InChIKey is LHFJUWOQLNPKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c17-14-3-4-16(13(10-14)11-18)20-9-1-2-15(20)12-5-7-19-8-6-12/h3-8,10,15H,1-2,9,11,18H2.
What are the key properties of [5-chloro-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine?
[5-chloro-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine has a molecular weight of 287.79 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 62492795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).