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

C16H24FNO — CID 82807623

IUPAC(3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCCC1CCCC(C(N)c2cccc(OC)c2F)C1
InChIInChI=1S/C16H24FNO/c1-3-11-6-4-7-12(10-11)16(18)13-8-5-9-14(19-2)15(13)17/h5,8-9,11-12,16H,3-4,6-7,10,18H2,1-2H3
InChIKeyIGZDOGMBVNTEMV-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.05
Rot. Bonds4

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

(3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanamine (PubChem CID 82807623) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanamine
PubChem CID82807623
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name(3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanamine
SMILESCCC1CCCC(C(N)c2cccc(OC)c2F)C1
InChIInChI=1S/C16H24FNO/c1-3-11-6-4-7-12(10-11)16(18)13-8-5-9-14(19-2)15(13)17/h5,8-9,11-12,16H,3-4,6-7,10,18H2,1-2H3
InChIKeyIGZDOGMBVNTEMV-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
(2-fluoro-3-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115998037
(2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65414537
(3-ethylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 65414540
(2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 65412911
(3-bromo-2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 103523408
N-[(3-ethylcyclopentyl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 82791518
2-cyclobutyl-N-ethyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 103169321
[2-cycloheptyl-1-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105329278
(2-fluoro-3-methoxyphenyl)-(5-methyloxolan-3-yl)methanamine
CID 105025195
(2,5-dimethoxyphenyl)-(3-ethylcyclopentyl)methanamine
CID 65411014
(3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine
CID 65415344

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The IUPAC name of (3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanamine (CID 82807623) is (3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanamine.
What is the SMILES notation for (3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The canonical SMILES for (3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanamine is CCC1CCCC(C(N)c2cccc(OC)c2F)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanamine?
The InChIKey is IGZDOGMBVNTEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-11-6-4-7-12(10-11)16(18)13-8-5-9-14(19-2)15(13)17/h5,8-9,11-12,16H,3-4,6-7,10,18H2,1-2H3.
What are the key properties of (3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanamine?
(3-ethylcyclohexyl)-(2-fluoro-3-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)-(2-fluoro-3-methoxyphenyl)methanamine is sourced from PubChem (CID 82807623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).