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

C16H24FNO — CID 82770138

IUPAC(3-ethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanamine
SMILESCCC1CCCC(C(N)c2cc(F)ccc2OC)C1
InChIInChI=1S/C16H24FNO/c1-3-11-5-4-6-12(9-11)16(18)14-10-13(17)7-8-15(14)19-2/h7-8,10-12,16H,3-6,9,18H2,1-2H3
InChIKeyDDHGXJDOHHUPBV-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.05
Rot. Bonds4

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

(3-ethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanamine (PubChem CID 82770138) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanamine
PubChem CID82770138
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name(3-ethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanamine
SMILESCCC1CCCC(C(N)c2cc(F)ccc2OC)C1
InChIInChI=1S/C16H24FNO/c1-3-11-5-4-6-12(9-11)16(18)14-10-13(17)7-8-15(14)19-2/h7-8,10-12,16H,3-6,9,18H2,1-2H3
InChIKeyDDHGXJDOHHUPBV-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82807623
(5-fluoro-2-methoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 82769188
(R)-cyclohexyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 93023442
(3-ethylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 65414540
(2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65414537
(2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanamine
CID 65411014
(3-bromo-2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 103523408
(5-fluoro-2-methoxyphenyl)-(1-methylpyrrolidin-3-yl)methanamine
CID 83824626
(5-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107177071
(3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine
CID 65415344
4-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclohexan-1-one
CID 116941932
2-(3-ethoxycyclobutyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 103162733

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanamine?
The IUPAC name of (3-ethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanamine (CID 82770138) is (3-ethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanamine.
What is the SMILES notation for (3-ethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanamine?
The canonical SMILES for (3-ethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanamine is CCC1CCCC(C(N)c2cc(F)ccc2OC)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanamine?
The InChIKey is DDHGXJDOHHUPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-11-5-4-6-12(9-11)16(18)14-10-13(17)7-8-15(14)19-2/h7-8,10-12,16H,3-6,9,18H2,1-2H3.
What are the key properties of (3-ethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanamine?
(3-ethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanamine has a molecular weight of 265.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanamine is sourced from PubChem (CID 82770138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).