2-(5-chloro-2-hydroxyphenyl)-2-(cyclohexylamino)acetonitrile

C14H17ClN2O — CID 84816951

IUPAC2-(5-chloro-2-hydroxyphenyl)-2-(cyclohexylamino)acetonitrile
SMILESN#CC(NC1CCCCC1)c1cc(Cl)ccc1O
InChIInChI=1S/C14H17ClN2O/c15-10-6-7-14(18)12(8-10)13(9-16)17-11-4-2-1-3-5-11/h6-8,11,13,17-18H,1-5H2
InChIKeyPAGAOGRMPJLOIJ-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.53
Rot. Bonds3

About 2-(5-chloro-2-hydroxyphenyl)-2-(cyclohexylamino)acetonitrile

2-(5-chloro-2-hydroxyphenyl)-2-(cyclohexylamino)acetonitrile (PubChem CID 84816951) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-(5-chloro-2-hydroxyphenyl)-2-(cyclohexylamino)acetonitrile.

Molecular Properties

Compound Name2-(5-chloro-2-hydroxyphenyl)-2-(cyclohexylamino)acetonitrile
PubChem CID84816951
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-(5-chloro-2-hydroxyphenyl)-2-(cyclohexylamino)acetonitrile
SMILESN#CC(NC1CCCCC1)c1cc(Cl)ccc1O
InChIInChI=1S/C14H17ClN2O/c15-10-6-7-14(18)12(8-10)13(9-16)17-11-4-2-1-3-5-11/h6-8,11,13,17-18H,1-5H2
InChIKeyPAGAOGRMPJLOIJ-UHFFFAOYSA-N
XLogP3.53
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylamino)-2-(2,4-dichlorophenyl)acetonitrile
CID 43151713
2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetonitrile
CID 54893948
2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile
CID 54894619
2-(cyclopentylamino)-2-(2-fluoro-5-methylphenyl)acetonitrile
CID 114054084
2-(cyclopentylamino)-2-(2,4,5-trifluorophenyl)acetonitrile
CID 114058035
2-(cyclopentylamino)-2-(3,4-dichlorophenyl)acetonitrile
CID 54894364
2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetonitrile
CID 54894227
2-(5-chloro-2-fluorophenyl)-2-(cycloheptylamino)acetic acid
CID 114843747
2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile
CID 61002347
2-(2-bromophenyl)-2-(cyclopentylamino)acetonitrile
CID 61002469
2-(cycloheptylamino)-2-(3,4,5-trifluorophenyl)acetonitrile
CID 63078021
2-(cyclopentylamino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62119933

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-hydroxyphenyl)-2-(cyclohexylamino)acetonitrile?
The IUPAC name of 2-(5-chloro-2-hydroxyphenyl)-2-(cyclohexylamino)acetonitrile (CID 84816951) is 2-(5-chloro-2-hydroxyphenyl)-2-(cyclohexylamino)acetonitrile.
What is the SMILES notation for 2-(5-chloro-2-hydroxyphenyl)-2-(cyclohexylamino)acetonitrile?
The canonical SMILES for 2-(5-chloro-2-hydroxyphenyl)-2-(cyclohexylamino)acetonitrile is N#CC(NC1CCCCC1)c1cc(Cl)ccc1O.
What is the InChIKey of 2-(5-chloro-2-hydroxyphenyl)-2-(cyclohexylamino)acetonitrile?
The InChIKey is PAGAOGRMPJLOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-10-6-7-14(18)12(8-10)13(9-16)17-11-4-2-1-3-5-11/h6-8,11,13,17-18H,1-5H2.
What are the key properties of 2-(5-chloro-2-hydroxyphenyl)-2-(cyclohexylamino)acetonitrile?
2-(5-chloro-2-hydroxyphenyl)-2-(cyclohexylamino)acetonitrile has a molecular weight of 264.76 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-hydroxyphenyl)-2-(cyclohexylamino)acetonitrile is sourced from PubChem (CID 84816951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).