4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile

C15H20N2O2 — CID 93381192

IUPAC4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
SMILESN#Cc1ccc(OC[C@H](O)CNC2CCCC2)cc1
InChIInChI=1S/C15H20N2O2/c16-9-12-5-7-15(8-6-12)19-11-14(18)10-17-13-3-1-2-4-13/h5-8,13-14,17-18H,1-4,10-11H2/t14-/m1/s1
InChIKeyUJWQHCGXCFCFFF-CQSZACIVSA-N
MW260.34 g/mol
LogP1.83
Rot. Bonds6

About 4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile

4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile (PubChem CID 93381192) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile.

Molecular Properties

Compound Name4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
PubChem CID93381192
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
SMILESN#Cc1ccc(OC[C@H](O)CNC2CCCC2)cc1
InChIInChI=1S/C15H20N2O2/c16-9-12-5-7-15(8-6-12)19-11-14(18)10-17-13-3-1-2-4-13/h5-8,13-14,17-18H,1-4,10-11H2/t14-/m1/s1
InChIKeyUJWQHCGXCFCFFF-CQSZACIVSA-N
XLogP1.83
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
3-[3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile
CID 60904310
4-[3-[(2-tert-butylcyclohexyl)amino]-2-hydroxypropoxy]benzonitrile
CID 55697814
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
1-(cyclopentylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 18838017
1-(4-bromophenoxy)-3-(cyclobutylamino)propan-2-ol
CID 55066785
1-[4-[3-(cyclopentylamino)-2-hydroxypropoxy]phenyl]ethanone;hydrochloride
CID 2966544
1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol
CID 111104815
1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 2967956
1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one
CID 2102296
4-[2-(cyclopentylamino)ethoxy]benzonitrile
CID 2199873
4-[3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]benzonitrile
CID 43213548

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile?
The IUPAC name of 4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile (CID 93381192) is 4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile.
What is the SMILES notation for 4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile?
The canonical SMILES for 4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile is N#Cc1ccc(OC[C@H](O)CNC2CCCC2)cc1.
What is the InChIKey of 4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile?
The InChIKey is UJWQHCGXCFCFFF-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-9-12-5-7-15(8-6-12)19-11-14(18)10-17-13-3-1-2-4-13/h5-8,13-14,17-18H,1-4,10-11H2/t14-/m1/s1.
What are the key properties of 4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile?
4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile has a molecular weight of 260.34 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]benzonitrile is sourced from PubChem (CID 93381192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).