5-(cyclohexylmethylamino)-2-fluorobenzonitrile

C14H17FN2 — CID 62317493

IUPAC5-(cyclohexylmethylamino)-2-fluorobenzonitrile
SMILESN#Cc1cc(NCC2CCCCC2)ccc1F
InChIInChI=1S/C14H17FN2/c15-14-7-6-13(8-12(14)9-16)17-10-11-4-2-1-3-5-11/h6-8,11,17H,1-5,10H2
InChIKeyVJHXTDQJLRMMSB-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.69
Rot. Bonds3

About 5-(cyclohexylmethylamino)-2-fluorobenzonitrile

5-(cyclohexylmethylamino)-2-fluorobenzonitrile (PubChem CID 62317493) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 5-(cyclohexylmethylamino)-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-(cyclohexylmethylamino)-2-fluorobenzonitrile
PubChem CID62317493
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name5-(cyclohexylmethylamino)-2-fluorobenzonitrile
SMILESN#Cc1cc(NCC2CCCCC2)ccc1F
InChIInChI=1S/C14H17FN2/c15-14-7-6-13(8-12(14)9-16)17-10-11-4-2-1-3-5-11/h6-8,11,17H,1-5,10H2
InChIKeyVJHXTDQJLRMMSB-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-cyano-4-fluoroanilino)methyl]cyclohexane-1-carboxylic acid
CID 172582938
N-(cyclopentylmethyl)-3,4-difluoroaniline
CID 61344637
3-chloro-N-(cyclooctylmethyl)-4-fluoroaniline
CID 114207702
2-fluoro-5-(1-oxaspiro[4.5]decan-2-ylmethylamino)benzonitrile
CID 102847090
N-(3-cyano-4-fluorophenyl)-2-cyclopentylacetamide
CID 62315620
5-(ethylamino)-2-fluorobenzonitrile
CID 62316083
2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]benzonitrile
CID 113295642
4-(cyclopropylmethylamino)-2-(trifluoromethyl)benzonitrile
CID 11481851
N-[5-(cyclohexylmethylamino)-2-fluorophenyl]acetamide
CID 54862921
5-(2-bromoprop-2-enylamino)-2-fluorobenzonitrile
CID 62316993
2-fluoro-4-[(3-hydroxycyclopentyl)methylamino]benzonitrile
CID 106136057
2-fluoro-5-(2-methylpropylamino)benzonitrile
CID 62316780

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethylamino)-2-fluorobenzonitrile?
The IUPAC name of 5-(cyclohexylmethylamino)-2-fluorobenzonitrile (CID 62317493) is 5-(cyclohexylmethylamino)-2-fluorobenzonitrile.
What is the SMILES notation for 5-(cyclohexylmethylamino)-2-fluorobenzonitrile?
The canonical SMILES for 5-(cyclohexylmethylamino)-2-fluorobenzonitrile is N#Cc1cc(NCC2CCCCC2)ccc1F.
What is the InChIKey of 5-(cyclohexylmethylamino)-2-fluorobenzonitrile?
The InChIKey is VJHXTDQJLRMMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c15-14-7-6-13(8-12(14)9-16)17-10-11-4-2-1-3-5-11/h6-8,11,17H,1-5,10H2.
What are the key properties of 5-(cyclohexylmethylamino)-2-fluorobenzonitrile?
5-(cyclohexylmethylamino)-2-fluorobenzonitrile has a molecular weight of 232.30 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethylamino)-2-fluorobenzonitrile is sourced from PubChem (CID 62317493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).