2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile

C14H17FN2 — CID 54894619

IUPAC2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile
SMILESN#CC(NC1CCCCC1)c1ccccc1F
InChIInChI=1S/C14H17FN2/c15-13-9-5-4-8-12(13)14(10-16)17-11-6-2-1-3-7-11/h4-5,8-9,11,14,17H,1-3,6-7H2
InChIKeyHLQVNOADFFJCQI-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.31
Rot. Bonds3

About 2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile

2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile (PubChem CID 54894619) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile
PubChem CID54894619
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile
SMILESN#CC(NC1CCCCC1)c1ccccc1F
InChIInChI=1S/C14H17FN2/c15-13-9-5-4-8-12(13)14(10-16)17-11-6-2-1-3-7-11/h4-5,8-9,11,14,17H,1-3,6-7H2
InChIKeyHLQVNOADFFJCQI-UHFFFAOYSA-N
XLogP3.31
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylamino)-2-(2,4-difluorophenyl)acetonitrile
CID 54893948
2-(2-bromophenyl)-2-(cyclopentylamino)acetonitrile
CID 61002469
2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile
CID 61002347
2-(4-bromo-2-fluorophenyl)-2-(cyclopentylamino)acetonitrile
CID 54894227
2-(cyclopentylamino)-2-(2-fluoro-5-methylphenyl)acetonitrile
CID 114054084
2-(cyclopentylamino)-2-(2,4,5-trifluorophenyl)acetonitrile
CID 114058035
N-[1-(2-fluorophenyl)ethyl]cyclooctanamine
CID 43080224
2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetonitrile
CID 43151692
2-(cycloheptylamino)-2-(3,4,5-trifluorophenyl)acetonitrile
CID 63078021
2-(5-bromo-2-fluorophenyl)-2-(cyclopropylamino)acetonitrile
CID 43151679
2-(5-chloro-2-hydroxyphenyl)-2-(cyclohexylamino)acetonitrile
CID 84816951
(2R)-2-(2-fluorophenyl)-2-(methylamino)acetonitrile
CID 28520327

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile?
The IUPAC name of 2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile (CID 54894619) is 2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile.
What is the SMILES notation for 2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile?
The canonical SMILES for 2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile is N#CC(NC1CCCCC1)c1ccccc1F.
What is the InChIKey of 2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile?
The InChIKey is HLQVNOADFFJCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c15-13-9-5-4-8-12(13)14(10-16)17-11-6-2-1-3-7-11/h4-5,8-9,11,14,17H,1-3,6-7H2.
What are the key properties of 2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile?
2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile has a molecular weight of 232.30 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile is sourced from PubChem (CID 54894619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).