[3-[1-(fluoromethyl)cyclohexyl]phenyl]methanamine

C14H20FN — CID 105478163

IUPAC[3-[1-(fluoromethyl)cyclohexyl]phenyl]methanamine
SMILESNCc1cccc(C2(CF)CCCCC2)c1
InChIInChI=1S/C14H20FN/c15-11-14(7-2-1-3-8-14)13-6-4-5-12(9-13)10-16/h4-6,9H,1-3,7-8,10-11,16H2
InChIKeyPARFJQSYSIEMMP-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.32
Rot. Bonds3

About [3-[1-(fluoromethyl)cyclohexyl]phenyl]methanamine

[3-[1-(fluoromethyl)cyclohexyl]phenyl]methanamine (PubChem CID 105478163) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is [3-[1-(fluoromethyl)cyclohexyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[1-(fluoromethyl)cyclohexyl]phenyl]methanamine
PubChem CID105478163
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name[3-[1-(fluoromethyl)cyclohexyl]phenyl]methanamine
SMILESNCc1cccc(C2(CF)CCCCC2)c1
InChIInChI=1S/C14H20FN/c15-11-14(7-2-1-3-8-14)13-6-4-5-12(9-13)10-16/h4-6,9H,1-3,7-8,10-11,16H2
InChIKeyPARFJQSYSIEMMP-UHFFFAOYSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-[1-[(dimethylamino)methyl]cyclopentyl]phenyl]methanamine
CID 115039154
[3-[1-(ethoxymethyl)cyclopentyl]phenyl]methanamine
CID 115039781
[3-(1-fluorocyclobutyl)phenyl]methanamine
CID 84718168
[3-[(1-fluorocyclopentyl)methyl]phenyl]methanamine
CID 84722438
1-[3-[1-(aminomethyl)cyclohexyl]phenyl]-2-methylpropan-2-ol
CID 117113390
[3-(1-methylsulfonylcyclopentyl)phenyl]methanamine
CID 115047146
1-bromo-4-[1-(fluoromethyl)cyclohexyl]benzene
CID 84730103
[3-(fluoromethyl)phenyl]methanamine
CID 58789244
1-[3-(2-fluoroethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117379310
1-[3-(2,2,2-trifluoroethyl)phenyl]cyclohexan-1-amine
CID 117396413
1-[3-(fluoromethyl)phenyl]cyclopropan-1-ol
CID 117276391
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248

Frequently Asked Questions

What is the IUPAC name of [3-[1-(fluoromethyl)cyclohexyl]phenyl]methanamine?
The IUPAC name of [3-[1-(fluoromethyl)cyclohexyl]phenyl]methanamine (CID 105478163) is [3-[1-(fluoromethyl)cyclohexyl]phenyl]methanamine.
What is the SMILES notation for [3-[1-(fluoromethyl)cyclohexyl]phenyl]methanamine?
The canonical SMILES for [3-[1-(fluoromethyl)cyclohexyl]phenyl]methanamine is NCc1cccc(C2(CF)CCCCC2)c1.
What is the InChIKey of [3-[1-(fluoromethyl)cyclohexyl]phenyl]methanamine?
The InChIKey is PARFJQSYSIEMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c15-11-14(7-2-1-3-8-14)13-6-4-5-12(9-13)10-16/h4-6,9H,1-3,7-8,10-11,16H2.
What are the key properties of [3-[1-(fluoromethyl)cyclohexyl]phenyl]methanamine?
[3-[1-(fluoromethyl)cyclohexyl]phenyl]methanamine has a molecular weight of 221.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(fluoromethyl)cyclohexyl]phenyl]methanamine is sourced from PubChem (CID 105478163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).