2-[(3-fluorophenyl)methylamino]cyclohexane-1-carbonitrile

C14H17FN2 — CID 62743024

IUPAC2-[(3-fluorophenyl)methylamino]cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1NCc1cccc(F)c1
InChIInChI=1S/C14H17FN2/c15-13-6-3-4-11(8-13)10-17-14-7-2-1-5-12(14)9-16/h3-4,6,8,12,14,17H,1-2,5,7,10H2
InChIKeyHOWBTQQXNSEIJP-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.00
Rot. Bonds3

About 2-[(3-fluorophenyl)methylamino]cyclohexane-1-carbonitrile

2-[(3-fluorophenyl)methylamino]cyclohexane-1-carbonitrile (PubChem CID 62743024) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylamino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylamino]cyclohexane-1-carbonitrile
PubChem CID62743024
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name2-[(3-fluorophenyl)methylamino]cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1NCc1cccc(F)c1
InChIInChI=1S/C14H17FN2/c15-13-6-3-4-11(8-13)10-17-14-7-2-1-5-12(14)9-16/h3-4,6,8,12,14,17H,1-2,5,7,10H2
InChIKeyHOWBTQQXNSEIJP-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(chloromethyl)-N-[(3-fluorophenyl)methyl]cyclohexan-1-amine
CID 106365254
2-[(2-bromo-5-fluorophenyl)methylamino]cycloheptane-1-carbonitrile
CID 62741326
2-[(5-fluoro-2-hydroxyphenyl)methylamino]cyclopentane-1-carbonitrile
CID 113429755
2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile
CID 55114369
2-[[4-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carbonitrile
CID 62879600
2-[(3,4-dibromophenyl)methylamino]cyclopentane-1-carbonitrile
CID 113429756
2-(pyridin-4-ylmethylamino)cycloheptane-1-carbonitrile
CID 62743142
2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide
CID 86790349
cis-(1S,2R)-2-[(3-fluorophenyl)methylamino]cycloheptane-1-carboxamide
CID 99586249
2-[2-(4-fluorophenyl)ethylamino]cyclohexane-1-carbonitrile
CID 62743682
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)cyclopentane-1-carbonitrile
CID 55152539
N-[(3-fluorophenyl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79544989

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylamino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[(3-fluorophenyl)methylamino]cyclohexane-1-carbonitrile (CID 62743024) is 2-[(3-fluorophenyl)methylamino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[(3-fluorophenyl)methylamino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[(3-fluorophenyl)methylamino]cyclohexane-1-carbonitrile is N#CC1CCCCC1NCc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methylamino]cyclohexane-1-carbonitrile?
The InChIKey is HOWBTQQXNSEIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c15-13-6-3-4-11(8-13)10-17-14-7-2-1-5-12(14)9-16/h3-4,6,8,12,14,17H,1-2,5,7,10H2.
What are the key properties of 2-[(3-fluorophenyl)methylamino]cyclohexane-1-carbonitrile?
2-[(3-fluorophenyl)methylamino]cyclohexane-1-carbonitrile has a molecular weight of 232.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylamino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 62743024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).