[2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine

C15H22FN — CID 81010735

IUPAC[2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(Cc2cccc(F)c2)C1
InChIInChI=1S/C15H22FN/c1-11-5-6-13(10-17)14(7-11)8-12-3-2-4-15(16)9-12/h2-4,9,11,13-14H,5-8,10,17H2,1H3
InChIKeyYBQMWHQTNWUTCS-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.38
Rot. Bonds3

About [2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine

[2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine (PubChem CID 81010735) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is [2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
PubChem CID81010735
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name[2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(Cc2cccc(F)c2)C1
InChIInChI=1S/C15H22FN/c1-11-5-6-13(10-17)14(7-11)8-12-3-2-4-15(16)9-12/h2-4,9,11,13-14H,5-8,10,17H2,1H3
InChIKeyYBQMWHQTNWUTCS-UHFFFAOYSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine
CID 81010967
[2-[(3-fluorophenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81012992
[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009868
[2-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009547
2-[(3-fluorophenyl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63403748
[2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009861
[4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine
CID 90782527
[2-(3-fluorophenyl)sulfinyl-4-methylcyclohexyl]methanamine
CID 81334277
3-(3-fluorophenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine
CID 114831771
[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methanamine
CID 105411409
[2-[(3-chlorophenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81011460
[2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine
CID 81011141

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine (CID 81010735) is [2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine is CC1CCC(CN)C(Cc2cccc(F)c2)C1.
What is the InChIKey of [2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine?
The InChIKey is YBQMWHQTNWUTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11-5-6-13(10-17)14(7-11)8-12-3-2-4-15(16)9-12/h2-4,9,11,13-14H,5-8,10,17H2,1H3.
What are the key properties of [2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine?
[2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine has a molecular weight of 235.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 81010735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).