1-[(1S,2R)-2-[(4-chloro-2-methoxyphenyl)methylamino]cyclopentyl]pyrrolidin-3-ol

C17H25ClN2O2 — CID 154743674

IUPAC1-[(1S,2R)-2-[(4-chloro-2-methoxyphenyl)methylamino]cyclopentyl]pyrrolidin-3-ol
SMILESCOc1cc(Cl)ccc1CN[C@@H]1CCC[C@@H]1N1CCC(O)C1
InChIInChI=1S/C17H25ClN2O2/c1-22-17-9-13(18)6-5-12(17)10-19-15-3-2-4-16(15)20-8-7-14(21)11-20/h5-6,9,14-16,19,21H,2-4,7-8,10-11H2,1H3/t14?,15-,16+/m1/s1
InChIKeyNRHDVPICOKSPQU-JAIYHHTPSA-N
MW324.85 g/mol
LogP2.43
Rot. Bonds5

About 1-[(1S,2R)-2-[(4-chloro-2-methoxyphenyl)methylamino]cyclopentyl]pyrrolidin-3-ol

1-[(1S,2R)-2-[(4-chloro-2-methoxyphenyl)methylamino]cyclopentyl]pyrrolidin-3-ol (PubChem CID 154743674) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 1-[(1S,2R)-2-[(4-chloro-2-methoxyphenyl)methylamino]cyclopentyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(1S,2R)-2-[(4-chloro-2-methoxyphenyl)methylamino]cyclopentyl]pyrrolidin-3-ol
PubChem CID154743674
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name1-[(1S,2R)-2-[(4-chloro-2-methoxyphenyl)methylamino]cyclopentyl]pyrrolidin-3-ol
SMILESCOc1cc(Cl)ccc1CN[C@@H]1CCC[C@@H]1N1CCC(O)C1
InChIInChI=1S/C17H25ClN2O2/c1-22-17-9-13(18)6-5-12(17)10-19-15-3-2-4-16(15)20-8-7-14(21)11-20/h5-6,9,14-16,19,21H,2-4,7-8,10-11H2,1H3/t14?,15-,16+/m1/s1
InChIKeyNRHDVPICOKSPQU-JAIYHHTPSA-N
XLogP2.43
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1S,2R)-2-[(4-chloro-2-methoxyphenyl)methylamino]cyclopentyl]pyrrolidin-3-ol with MolForge

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 60958335
2-[(2,4-dimethoxyphenyl)methylamino]cyclohexan-1-ol
CID 62365081
N-[(4-chloro-2-methoxyphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 113405316
2-(5-chloro-2-methoxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 79029346
N-[(2,5-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 65316441
N-[(2,4-dimethoxyphenyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 43082086
2-[(2-methoxyphenyl)methylamino]cyclopentan-1-ol
CID 60713485
[2-[(2,4-dimethoxyphenyl)methylamino]cyclopentyl]methanol
CID 103700479
(1S,8aR)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 96932938
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111333934
2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]cycloheptan-1-ol
CID 104664000
2-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-4-methoxyphenol
CID 43694220

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-[(4-chloro-2-methoxyphenyl)methylamino]cyclopentyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(1S,2R)-2-[(4-chloro-2-methoxyphenyl)methylamino]cyclopentyl]pyrrolidin-3-ol (CID 154743674) is 1-[(1S,2R)-2-[(4-chloro-2-methoxyphenyl)methylamino]cyclopentyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(1S,2R)-2-[(4-chloro-2-methoxyphenyl)methylamino]cyclopentyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(1S,2R)-2-[(4-chloro-2-methoxyphenyl)methylamino]cyclopentyl]pyrrolidin-3-ol is COc1cc(Cl)ccc1CN[C@@H]1CCC[C@@H]1N1CCC(O)C1.
What is the InChIKey of 1-[(1S,2R)-2-[(4-chloro-2-methoxyphenyl)methylamino]cyclopentyl]pyrrolidin-3-ol?
The InChIKey is NRHDVPICOKSPQU-JAIYHHTPSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-22-17-9-13(18)6-5-12(17)10-19-15-3-2-4-16(15)20-8-7-14(21)11-20/h5-6,9,14-16,19,21H,2-4,7-8,10-11H2,1H3/t14?,15-,16+/m1/s1.
What are the key properties of 1-[(1S,2R)-2-[(4-chloro-2-methoxyphenyl)methylamino]cyclopentyl]pyrrolidin-3-ol?
1-[(1S,2R)-2-[(4-chloro-2-methoxyphenyl)methylamino]cyclopentyl]pyrrolidin-3-ol has a molecular weight of 324.85 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-[(4-chloro-2-methoxyphenyl)methylamino]cyclopentyl]pyrrolidin-3-ol is sourced from PubChem (CID 154743674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).