(5-fluoro-2-methoxyphenyl)-(3-methylcyclohexyl)methanamine

C15H22FNO — CID 82769188

IUPAC(5-fluoro-2-methoxyphenyl)-(3-methylcyclohexyl)methanamine
SMILESCOc1ccc(F)cc1C(N)C1CCCC(C)C1
InChIInChI=1S/C15H22FNO/c1-10-4-3-5-11(8-10)15(17)13-9-12(16)6-7-14(13)18-2/h6-7,9-11,15H,3-5,8,17H2,1-2H3
InChIKeyKLHPSQBTYPTZHP-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.66
Rot. Bonds3

About (5-fluoro-2-methoxyphenyl)-(3-methylcyclohexyl)methanamine

(5-fluoro-2-methoxyphenyl)-(3-methylcyclohexyl)methanamine (PubChem CID 82769188) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-(3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-(3-methylcyclohexyl)methanamine
PubChem CID82769188
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name(5-fluoro-2-methoxyphenyl)-(3-methylcyclohexyl)methanamine
SMILESCOc1ccc(F)cc1C(N)C1CCCC(C)C1
InChIInChI=1S/C15H22FNO/c1-10-4-3-5-11(8-10)15(17)13-9-12(16)6-7-14(13)18-2/h6-7,9-11,15H,3-5,8,17H2,1-2H3
InChIKeyKLHPSQBTYPTZHP-UHFFFAOYSA-N
XLogP3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442
(2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 55120876
(3-ethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 82770138
(5-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107177071
4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one
CID 116941932
(2-fluoro-4-methoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 81305445
[(5-fluoro-2-methoxyphenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233254
(5-fluoro-2-methoxyphenyl)-(1-methylpyrrolidin-3-yl)methanamine
CID 83824626
(1R,2S)-2-amino-1-cyclohexyl-2-(5-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171268203
2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83154876
(S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride
CID 171224902
(S)-cyclobutyl-[2-methoxy-5-(trifluoromethoxy)phenyl]methanamine
CID 171228325

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-(3-methylcyclohexyl)methanamine?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-(3-methylcyclohexyl)methanamine (CID 82769188) is (5-fluoro-2-methoxyphenyl)-(3-methylcyclohexyl)methanamine.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-(3-methylcyclohexyl)methanamine?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-(3-methylcyclohexyl)methanamine is COc1ccc(F)cc1C(N)C1CCCC(C)C1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-(3-methylcyclohexyl)methanamine?
The InChIKey is KLHPSQBTYPTZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10-4-3-5-11(8-10)15(17)13-9-12(16)6-7-14(13)18-2/h6-7,9-11,15H,3-5,8,17H2,1-2H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-(3-methylcyclohexyl)methanamine?
(5-fluoro-2-methoxyphenyl)-(3-methylcyclohexyl)methanamine has a molecular weight of 251.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-(3-methylcyclohexyl)methanamine is sourced from PubChem (CID 82769188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).