[4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine

C14H20FN — CID 90782527

IUPAC[4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine
SMILESNCC1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C14H20FN/c15-14-3-1-2-13(9-14)8-11-4-6-12(10-16)7-5-11/h1-3,9,11-12H,4-8,10,16H2
InChIKeyGAAPKHXRMCMPJW-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.13
Rot. Bonds3

About [4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine

[4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine (PubChem CID 90782527) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine
PubChem CID90782527
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC Name[4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine
SMILESNCC1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C14H20FN/c15-14-3-1-2-13(9-14)8-11-4-6-12(10-16)7-5-11/h1-3,9,11-12H,4-8,10,16H2
InChIKeyGAAPKHXRMCMPJW-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine?
The IUPAC name of [4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine (CID 90782527) is [4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine is NCC1CCC(Cc2cccc(F)c2)CC1.
What is the InChIKey of [4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine?
The InChIKey is GAAPKHXRMCMPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c15-14-3-1-2-13(9-14)8-11-4-6-12(10-16)7-5-11/h1-3,9,11-12H,4-8,10,16H2.
What are the key properties of [4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine?
[4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine has a molecular weight of 221.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 90782527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).