1-[fluoro(phenyl)methyl]cyclohexan-1-amine

C13H18FN — CID 105460950

IUPAC1-[fluoro(phenyl)methyl]cyclohexan-1-amine
SMILESNC1(C(F)c2ccccc2)CCCCC1
InChIInChI=1S/C13H18FN/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,12H,2,5-6,9-10,15H2
InChIKeyRMOLGYQOFZLZNR-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.36
Rot. Bonds2

About 1-[fluoro(phenyl)methyl]cyclohexan-1-amine

1-[fluoro(phenyl)methyl]cyclohexan-1-amine (PubChem CID 105460950) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-[fluoro(phenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[fluoro(phenyl)methyl]cyclohexan-1-amine
PubChem CID105460950
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-[fluoro(phenyl)methyl]cyclohexan-1-amine
SMILESNC1(C(F)c2ccccc2)CCCCC1
InChIInChI=1S/C13H18FN/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,12H,2,5-6,9-10,15H2
InChIKeyRMOLGYQOFZLZNR-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[fluoro(phenyl)methyl]cyclopentane-1-carboxylic acid
CID 105479066
1-(difluoromethyl)cyclododecan-1-amine
CID 80605370
(1-aminocyclohexyl)-(3-fluorophenyl)methanol
CID 82287146
1-[(R)-amino(phenyl)methyl]cycloheptan-1-ol
CID 22084843
1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine
CID 117323795
1-(1-phenylethyl)cyclopropan-1-amine;hydrochloride
CID 138987875
1-[amino(phenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 59347798
1-(1-methylcyclohexyl)ethylbenzene
CID 139768950
(1-aminocyclopentyl)-(2-fluorophenyl)methanol
CID 82283865
1-(3-fluoro-2-phenylbutyl)cyclopropan-1-amine
CID 105460916
1-phenylethyl 1-aminocycloheptane-1-carboxylate
CID 61279460
[fluoro(fluoro)methyl]benzene
CID 146164458

Frequently Asked Questions

What is the IUPAC name of 1-[fluoro(phenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[fluoro(phenyl)methyl]cyclohexan-1-amine (CID 105460950) is 1-[fluoro(phenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[fluoro(phenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[fluoro(phenyl)methyl]cyclohexan-1-amine is NC1(C(F)c2ccccc2)CCCCC1.
What is the InChIKey of 1-[fluoro(phenyl)methyl]cyclohexan-1-amine?
The InChIKey is RMOLGYQOFZLZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c14-12(11-7-3-1-4-8-11)13(15)9-5-2-6-10-13/h1,3-4,7-8,12H,2,5-6,9-10,15H2.
What are the key properties of 1-[fluoro(phenyl)methyl]cyclohexan-1-amine?
1-[fluoro(phenyl)methyl]cyclohexan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(phenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 105460950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).