(1S,2S,4R)-4-[[4-(4-chlorophenyl)phenyl]methyl]-2-(methylamino)cyclopentan-1-ol

C19H22ClNO — CID 18604706

IUPAC(1S,2S,4R)-4-[[4-(4-chlorophenyl)phenyl]methyl]-2-(methylamino)cyclopentan-1-ol
SMILESCN[C@H]1C[C@@H](Cc2ccc(-c3ccc(Cl)cc3)cc2)C[C@@H]1O
InChIInChI=1S/C19H22ClNO/c1-21-18-11-14(12-19(18)22)10-13-2-4-15(5-3-13)16-6-8-17(20)9-7-16/h2-9,14,18-19,21-22H,10-12H2,1H3/t14-,18+,19+/m1/s1
InChIKeyKKIJNVWMXCRCDA-CCKFTAQKSA-N
MW315.84 g/mol
LogP3.91
Rot. Bonds4

About (1S,2S,4R)-4-[[4-(4-chlorophenyl)phenyl]methyl]-2-(methylamino)cyclopentan-1-ol

(1S,2S,4R)-4-[[4-(4-chlorophenyl)phenyl]methyl]-2-(methylamino)cyclopentan-1-ol (PubChem CID 18604706) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is (1S,2S,4R)-4-[[4-(4-chlorophenyl)phenyl]methyl]-2-(methylamino)cyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2S,4R)-4-[[4-(4-chlorophenyl)phenyl]methyl]-2-(methylamino)cyclopentan-1-ol
PubChem CID18604706
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name(1S,2S,4R)-4-[[4-(4-chlorophenyl)phenyl]methyl]-2-(methylamino)cyclopentan-1-ol
SMILESCN[C@H]1C[C@@H](Cc2ccc(-c3ccc(Cl)cc3)cc2)C[C@@H]1O
InChIInChI=1S/C19H22ClNO/c1-21-18-11-14(12-19(18)22)10-13-2-4-15(5-3-13)16-6-8-17(20)9-7-16/h2-9,14,18-19,21-22H,10-12H2,1H3/t14-,18+,19+/m1/s1
InChIKeyKKIJNVWMXCRCDA-CCKFTAQKSA-N
XLogP3.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-4-[[4-(4-chlorophenyl)phenyl]methyl]-2-(methylamino)cyclopentan-1-ol?
The IUPAC name of (1S,2S,4R)-4-[[4-(4-chlorophenyl)phenyl]methyl]-2-(methylamino)cyclopentan-1-ol (CID 18604706) is (1S,2S,4R)-4-[[4-(4-chlorophenyl)phenyl]methyl]-2-(methylamino)cyclopentan-1-ol.
What is the SMILES notation for (1S,2S,4R)-4-[[4-(4-chlorophenyl)phenyl]methyl]-2-(methylamino)cyclopentan-1-ol?
The canonical SMILES for (1S,2S,4R)-4-[[4-(4-chlorophenyl)phenyl]methyl]-2-(methylamino)cyclopentan-1-ol is CN[C@H]1C[C@@H](Cc2ccc(-c3ccc(Cl)cc3)cc2)C[C@@H]1O.
What is the InChIKey of (1S,2S,4R)-4-[[4-(4-chlorophenyl)phenyl]methyl]-2-(methylamino)cyclopentan-1-ol?
The InChIKey is KKIJNVWMXCRCDA-CCKFTAQKSA-N. The full InChI is InChI=1S/C19H22ClNO/c1-21-18-11-14(12-19(18)22)10-13-2-4-15(5-3-13)16-6-8-17(20)9-7-16/h2-9,14,18-19,21-22H,10-12H2,1H3/t14-,18+,19+/m1/s1.
What are the key properties of (1S,2S,4R)-4-[[4-(4-chlorophenyl)phenyl]methyl]-2-(methylamino)cyclopentan-1-ol?
(1S,2S,4R)-4-[[4-(4-chlorophenyl)phenyl]methyl]-2-(methylamino)cyclopentan-1-ol has a molecular weight of 315.84 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-4-[[4-(4-chlorophenyl)phenyl]methyl]-2-(methylamino)cyclopentan-1-ol is sourced from PubChem (CID 18604706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).