(S)-[1-(azetidin-1-yl)cyclopentyl]-phenylmethanamine

C15H22N2 — CID 129386988

IUPAC(S)-[1-(azetidin-1-yl)cyclopentyl]-phenylmethanamine
SMILESN[C@@H](c1ccccc1)C1(N2CCC2)CCCC1
InChIInChI=1S/C15H22N2/c16-14(13-7-2-1-3-8-13)15(9-4-5-10-15)17-11-6-12-17/h1-3,7-8,14H,4-6,9-12,16H2/t14-/m0/s1
InChIKeyNPGDXXPCYUTFRO-AWEZNQCLSA-N
MW230.35 g/mol
LogP2.70
Rot. Bonds3

About (S)-[1-(azetidin-1-yl)cyclopentyl]-phenylmethanamine

(S)-[1-(azetidin-1-yl)cyclopentyl]-phenylmethanamine (PubChem CID 129386988) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (S)-[1-(azetidin-1-yl)cyclopentyl]-phenylmethanamine.

Molecular Properties

Compound Name(S)-[1-(azetidin-1-yl)cyclopentyl]-phenylmethanamine
PubChem CID129386988
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(S)-[1-(azetidin-1-yl)cyclopentyl]-phenylmethanamine
SMILESN[C@@H](c1ccccc1)C1(N2CCC2)CCCC1
InChIInChI=1S/C15H22N2/c16-14(13-7-2-1-3-8-13)15(9-4-5-10-15)17-11-6-12-17/h1-3,7-8,14H,4-6,9-12,16H2/t14-/m0/s1
InChIKeyNPGDXXPCYUTFRO-AWEZNQCLSA-N
XLogP2.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-(1-pyrrolidin-1-ylcyclopropyl)methanamine
CID 59197912
(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79058711
(S)-phenyl-(1-pyrrolidin-1-ylcyclopentyl)methanol
CID 124515845
(4-methylphenyl)-(1-morpholin-4-ylcyclopentyl)methanamine
CID 79057780
1-[(R)-amino(phenyl)methyl]cycloheptan-1-ol
CID 22084843
1-[amino(phenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 59347798
(2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79057699
(2,5-dichlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79058950
(3-chlorothiophen-2-yl)-(1-piperidin-1-ylcyclopentyl)methanamine
CID 107359921
N-methyl-1-(1-morpholin-4-ylcyclopentyl)-1-phenylmethanamine
CID 79066704
cyclohexen-1-yl-(1-piperidin-1-ylcyclopentyl)methanamine
CID 106653694
[1-(aminomethyl)cyclobutyl]-phenylmethanamine
CID 116943782

Frequently Asked Questions

What is the IUPAC name of (S)-[1-(azetidin-1-yl)cyclopentyl]-phenylmethanamine?
The IUPAC name of (S)-[1-(azetidin-1-yl)cyclopentyl]-phenylmethanamine (CID 129386988) is (S)-[1-(azetidin-1-yl)cyclopentyl]-phenylmethanamine.
What is the SMILES notation for (S)-[1-(azetidin-1-yl)cyclopentyl]-phenylmethanamine?
The canonical SMILES for (S)-[1-(azetidin-1-yl)cyclopentyl]-phenylmethanamine is N[C@@H](c1ccccc1)C1(N2CCC2)CCCC1.
What is the InChIKey of (S)-[1-(azetidin-1-yl)cyclopentyl]-phenylmethanamine?
The InChIKey is NPGDXXPCYUTFRO-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2/c16-14(13-7-2-1-3-8-13)15(9-4-5-10-15)17-11-6-12-17/h1-3,7-8,14H,4-6,9-12,16H2/t14-/m0/s1.
What are the key properties of (S)-[1-(azetidin-1-yl)cyclopentyl]-phenylmethanamine?
(S)-[1-(azetidin-1-yl)cyclopentyl]-phenylmethanamine has a molecular weight of 230.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[1-(azetidin-1-yl)cyclopentyl]-phenylmethanamine is sourced from PubChem (CID 129386988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).