(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine

C16H23ClN2 — CID 79058711

IUPAC(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
SMILESNC(c1cccc(Cl)c1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H23ClN2/c17-14-7-5-6-13(12-14)15(18)16(8-1-2-9-16)19-10-3-4-11-19/h5-7,12,15H,1-4,8-11,18H2
InChIKeyDTEGUKOCYFTHJJ-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.75
Rot. Bonds3

About (3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine

(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine (PubChem CID 79058711) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is (3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine.

Molecular Properties

Compound Name(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
PubChem CID79058711
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
SMILESNC(c1cccc(Cl)c1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C16H23ClN2/c17-14-7-5-6-13(12-14)15(18)16(8-1-2-9-16)19-10-3-4-11-19/h5-7,12,15H,1-4,8-11,18H2
InChIKeyDTEGUKOCYFTHJJ-UHFFFAOYSA-N
XLogP3.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-[1-(azetidin-1-yl)cyclopentyl]-phenylmethanamine
CID 129386988
(2,5-dichlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79058950
N-[(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methyl]ethanamine
CID 79058476
phenyl-(1-pyrrolidin-1-ylcyclopropyl)methanamine
CID 59197912
1-[amino-(3-chlorophenyl)methyl]cyclohexan-1-ol
CID 121281370
(3-chlorophenyl)-(1-methoxycyclopentyl)methanamine
CID 104610685
(3-chlorophenyl)-(1-phenylcyclopropyl)methanamine
CID 63079140
(2,4-difluorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine
CID 79057699
(3-chlorothiophen-2-yl)-(1-piperidin-1-ylcyclopentyl)methanamine
CID 107359921
[(4-chlorophenyl)-(1-piperidin-1-ylcyclopentyl)methyl]hydrazine
CID 105242973
3-(azocan-1-yl)-1-(3-chlorophenyl)propan-1-amine
CID 62629736
(3-chlorophenyl)-(3,5-dichlorophenyl)methanamine
CID 115811895

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
The IUPAC name of (3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine (CID 79058711) is (3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine.
What is the SMILES notation for (3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
The canonical SMILES for (3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine is NC(c1cccc(Cl)c1)C1(N2CCCC2)CCCC1.
What is the InChIKey of (3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
The InChIKey is DTEGUKOCYFTHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c17-14-7-5-6-13(12-14)15(18)16(8-1-2-9-16)19-10-3-4-11-19/h5-7,12,15H,1-4,8-11,18H2.
What are the key properties of (3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine?
(3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine has a molecular weight of 278.83 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(1-pyrrolidin-1-ylcyclopentyl)methanamine is sourced from PubChem (CID 79058711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).