[2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexyl]methanamine

C16H24FNO — CID 81009861

IUPAC[2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexyl]methanamine
SMILESCOc1ccc(CC2CC(C)CCC2CN)cc1F
InChIInChI=1S/C16H24FNO/c1-11-3-5-13(10-18)14(7-11)8-12-4-6-16(19-2)15(17)9-12/h4,6,9,11,13-14H,3,5,7-8,10,18H2,1-2H3
InChIKeyBTQDODFVGNJHHH-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.39
Rot. Bonds4

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

[2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexyl]methanamine (PubChem CID 81009861) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is [2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexyl]methanamine
PubChem CID81009861
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name[2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexyl]methanamine
SMILESCOc1ccc(CC2CC(C)CCC2CN)cc1F
InChIInChI=1S/C16H24FNO/c1-11-3-5-13(10-18)14(7-11)8-12-4-6-16(19-2)15(17)9-12/h4,6,9,11,13-14H,3,5,7-8,10,18H2,1-2H3
InChIKeyBTQDODFVGNJHHH-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(3,4-dimethylphenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81010415
[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009868
[2-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009547
1-[2-[(3,4-difluorophenyl)methyl]-4-methylcyclohexyl]-N-methylmethanamine
CID 82934724
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993879
4-[(2-bromo-5-propylcyclohexyl)methyl]-2-fluoro-1-methoxybenzene
CID 63473181
[2-[2-(4-methoxyphenyl)ethyl]-4-methylcyclohexyl]methanamine
CID 81011075
3-[(3-fluoro-4-methoxyphenyl)methyl]-N-propylcyclopentan-1-amine
CID 64506176
N-[[2-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81027411
[4-tert-butyl-2-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methanamine
CID 107889301
[2-(2-methoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293992
2-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62740577

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexyl]methanamine (CID 81009861) is [2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexyl]methanamine is COc1ccc(CC2CC(C)CCC2CN)cc1F.
What is the InChIKey of [2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexyl]methanamine?
The InChIKey is BTQDODFVGNJHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-11-3-5-13(10-18)14(7-11)8-12-4-6-16(19-2)15(17)9-12/h4,6,9,11,13-14H,3,5,7-8,10,18H2,1-2H3.
What are the key properties of [2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexyl]methanamine?
[2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexyl]methanamine has a molecular weight of 265.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 81009861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).