(1R)-1-[3-chloro-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine

C17H25ClN2 — CID 63368798

IUPAC(1R)-1-[3-chloro-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(N2CCCC2C2CCCC2)c(Cl)c1
InChIInChI=1S/C17H25ClN2/c1-12(19)14-8-9-17(15(18)11-14)20-10-4-7-16(20)13-5-2-3-6-13/h8-9,11-13,16H,2-7,10,19H2,1H3/t12-,16?/m1/s1
InChIKeyOSRHFPHXCTYKAQ-ZGTOLYCTSA-N
MW292.85 g/mol
LogP4.52
Rot. Bonds3

About (1R)-1-[3-chloro-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine

(1R)-1-[3-chloro-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine (PubChem CID 63368798) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine
PubChem CID63368798
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name(1R)-1-[3-chloro-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(N2CCCC2C2CCCC2)c(Cl)c1
InChIInChI=1S/C17H25ClN2/c1-12(19)14-8-9-17(15(18)11-14)20-10-4-7-16(20)13-5-2-3-6-13/h8-9,11-13,16H,2-7,10,19H2,1H3/t12-,16?/m1/s1
InChIKeyOSRHFPHXCTYKAQ-ZGTOLYCTSA-N
XLogP4.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chlorophenyl]ethanamine
CID 65321011
(1S)-1-[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-chlorophenyl]ethanamine
CID 82751036
1-[3-chloro-4-(2-methylpyrrolidin-1-yl)phenyl]ethanamine
CID 62909542
(1S)-1-[3-chloro-4-(2-methylpiperidin-1-yl)phenyl]ethanamine
CID 55190288
(1S)-1-[3-chloro-4-(2-ethylazepan-1-yl)phenyl]ethanamine
CID 104690209
[1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]azepan-2-yl]methanol
CID 104891529
1-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-chlorophenyl]ethanamine
CID 102726748
(1R)-1-[3-chloro-4-(3-methylpiperidin-1-yl)phenyl]ethanamine
CID 78935727
1-[3-chloro-4-(4-methylazepan-1-yl)phenyl]ethanamine
CID 63623731
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-fluorophenyl]ethanamine
CID 102726753
1-[5-bromo-2-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine
CID 82967867
1-[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-pyridinyl]ethanamine
CID 102726770

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-chloro-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine (CID 63368798) is (1R)-1-[3-chloro-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-chloro-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-chloro-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine is C[C@@H](N)c1ccc(N2CCCC2C2CCCC2)c(Cl)c1.
What is the InChIKey of (1R)-1-[3-chloro-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine?
The InChIKey is OSRHFPHXCTYKAQ-ZGTOLYCTSA-N. The full InChI is InChI=1S/C17H25ClN2/c1-12(19)14-8-9-17(15(18)11-14)20-10-4-7-16(20)13-5-2-3-6-13/h8-9,11-13,16H,2-7,10,19H2,1H3/t12-,16?/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine?
(1R)-1-[3-chloro-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine has a molecular weight of 292.85 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-(2-cyclopentylpyrrolidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 63368798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).