(3-ethylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanamine

C16H24FNO — CID 65414540

IUPAC(3-ethylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanamine
SMILESCCC1CCCC(C(N)c2ccc(OC)c(F)c2)C1
InChIInChI=1S/C16H24FNO/c1-3-11-5-4-6-12(9-11)16(18)13-7-8-15(19-2)14(17)10-13/h7-8,10-12,16H,3-6,9,18H2,1-2H3
InChIKeyHCTHCLPSQJKZOM-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.05
Rot. Bonds4

About (3-ethylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanamine

(3-ethylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanamine (PubChem CID 65414540) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanamine
PubChem CID65414540
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name(3-ethylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanamine
SMILESCCC1CCCC(C(N)c2ccc(OC)c(F)c2)C1
InChIInChI=1S/C16H24FNO/c1-3-11-5-4-6-12(9-11)16(18)13-7-8-15(19-2)14(17)10-13/h7-8,10-12,16H,3-6,9,18H2,1-2H3
InChIKeyHCTHCLPSQJKZOM-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)-(5-fluoro-2-methoxyphenyl)methanamine
CID 82770138
(3-chloro-4-methoxyphenyl)-(3-ethylcyclohexyl)methanol
CID 65026921
(3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82807623
(2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65414537
(1R,2S)-2-amino-1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 171161939
(3-fluoro-4-methoxyphenyl)-(oxan-4-yl)methanamine
CID 62906702
(1S)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 94248825
(4-ethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65415745
(2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 65412911
(3-bromo-2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 103523408
3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64741608
3-[amino-(3,4-dimethoxyphenyl)methyl]cyclobutan-1-amine
CID 116937304

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanamine?
The IUPAC name of (3-ethylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanamine (CID 65414540) is (3-ethylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (3-ethylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for (3-ethylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanamine is CCC1CCCC(C(N)c2ccc(OC)c(F)c2)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanamine?
The InChIKey is HCTHCLPSQJKZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-11-5-4-6-12(9-11)16(18)13-7-8-15(19-2)14(17)10-13/h7-8,10-12,16H,3-6,9,18H2,1-2H3.
What are the key properties of (3-ethylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanamine?
(3-ethylcyclohexyl)-(3-fluoro-4-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)-(3-fluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 65414540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).