(1-ethoxy-3-methylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanamine

C17H26FNO2 — CID 103395911

IUPAC(1-ethoxy-3-methylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanamine
SMILESCCOC1(C(N)c2ccc(OC)cc2F)CCCC(C)C1
InChIInChI=1S/C17H26FNO2/c1-4-21-17(9-5-6-12(2)11-17)16(19)14-8-7-13(20-3)10-15(14)18/h7-8,10,12,16H,4-6,9,11,19H2,1-3H3
InChIKeyWLBBGRUCEYELKS-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.82
Rot. Bonds5

About (1-ethoxy-3-methylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanamine

(1-ethoxy-3-methylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanamine (PubChem CID 103395911) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is (1-ethoxy-3-methylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(1-ethoxy-3-methylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanamine
PubChem CID103395911
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name(1-ethoxy-3-methylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanamine
SMILESCCOC1(C(N)c2ccc(OC)cc2F)CCCC(C)C1
InChIInChI=1S/C17H26FNO2/c1-4-21-17(9-5-6-12(2)11-17)16(19)14-8-7-13(20-3)10-15(14)18/h7-8,10,12,16H,4-6,9,11,19H2,1-3H3
InChIKeyWLBBGRUCEYELKS-UHFFFAOYSA-N
XLogP3.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768109
(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-pyridinyl)methanamine
CID 116768147
[(2-fluoro-4-methoxyphenyl)-(1-methoxy-3-methylcyclohexyl)methyl]hydrazine
CID 103397686
[(1-ethoxycyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397682
(1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanamine
CID 116768146
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348409
1-[[1-(2-fluoro-4-methoxyphenyl)ethylamino]methyl]-3-methylcyclohexan-1-ol
CID 65117105
(2-fluoro-4-methoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 81305445
3-cyclopentyl-1-(2-fluoro-4-methoxyphenyl)propan-1-amine
CID 43561214
2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 102619404
(1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116768084
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine
CID 116768089

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanamine?
The IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanamine (CID 103395911) is (1-ethoxy-3-methylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (1-ethoxy-3-methylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanamine?
The canonical SMILES for (1-ethoxy-3-methylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanamine is CCOC1(C(N)c2ccc(OC)cc2F)CCCC(C)C1.
What is the InChIKey of (1-ethoxy-3-methylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanamine?
The InChIKey is WLBBGRUCEYELKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-4-21-17(9-5-6-12(2)11-17)16(19)14-8-7-13(20-3)10-15(14)18/h7-8,10,12,16H,4-6,9,11,19H2,1-3H3.
What are the key properties of (1-ethoxy-3-methylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanamine?
(1-ethoxy-3-methylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanamine has a molecular weight of 295.40 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-methylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 103395911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).