[4-[(3-ethylcyclohexyl)oxymethyl]-2-methoxyphenyl]methanamine

C17H27NO2 — CID 106786351

IUPAC[4-[(3-ethylcyclohexyl)oxymethyl]-2-methoxyphenyl]methanamine
SMILESCCC1CCCC(OCc2ccc(CN)c(OC)c2)C1
InChIInChI=1S/C17H27NO2/c1-3-13-5-4-6-16(9-13)20-12-14-7-8-15(11-18)17(10-14)19-2/h7-8,10,13,16H,3-6,9,11-12,18H2,1-2H3
InChIKeyYTVIXPZMTWUTCL-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.64
Rot. Bonds6

About [4-[(3-ethylcyclohexyl)oxymethyl]-2-methoxyphenyl]methanamine

[4-[(3-ethylcyclohexyl)oxymethyl]-2-methoxyphenyl]methanamine (PubChem CID 106786351) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is [4-[(3-ethylcyclohexyl)oxymethyl]-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-[(3-ethylcyclohexyl)oxymethyl]-2-methoxyphenyl]methanamine
PubChem CID106786351
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name[4-[(3-ethylcyclohexyl)oxymethyl]-2-methoxyphenyl]methanamine
SMILESCCC1CCCC(OCc2ccc(CN)c(OC)c2)C1
InChIInChI=1S/C17H27NO2/c1-3-13-5-4-6-16(9-13)20-12-14-7-8-15(11-18)17(10-14)19-2/h7-8,10,13,16H,3-6,9,11-12,18H2,1-2H3
InChIKeyYTVIXPZMTWUTCL-UHFFFAOYSA-N
XLogP3.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(cyclohexyloxymethyl)-2-methoxyphenyl]methanamine
CID 65338634
5-[(3-ethylcyclohexyl)oxymethyl]-2-fluorobenzenecarbothioamide
CID 107879915
1-bromo-2-[(3-ethylcyclohexyl)oxymethyl]-4-methoxybenzene
CID 65326433
2-[(3-ethylcyclohexyl)oxymethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77034498
4-(cyclohexyloxymethyl)-2-methoxybenzenecarbothioamide
CID 106789100
[2-bromo-4-(3-ethylcyclohexyl)oxy-3-fluorophenyl]methanamine
CID 107532709
2-methoxy-5-[(3-methoxycyclohexyl)oxymethyl]benzoic acid
CID 65339146
methyl 2-[(3-ethylcyclohexyl)oxymethyl]benzoate
CID 82976185
1-[3-[(3-ethylcyclohexyl)oxymethyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457742
[2-methoxy-4-(2-methylpropoxymethyl)phenyl]methanamine
CID 106786198
[5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine
CID 114157330
1-bromo-3-[(3-ethylcyclohexyl)oxymethyl]-5-fluorobenzene
CID 79701830

Frequently Asked Questions

What is the IUPAC name of [4-[(3-ethylcyclohexyl)oxymethyl]-2-methoxyphenyl]methanamine?
The IUPAC name of [4-[(3-ethylcyclohexyl)oxymethyl]-2-methoxyphenyl]methanamine (CID 106786351) is [4-[(3-ethylcyclohexyl)oxymethyl]-2-methoxyphenyl]methanamine.
What is the SMILES notation for [4-[(3-ethylcyclohexyl)oxymethyl]-2-methoxyphenyl]methanamine?
The canonical SMILES for [4-[(3-ethylcyclohexyl)oxymethyl]-2-methoxyphenyl]methanamine is CCC1CCCC(OCc2ccc(CN)c(OC)c2)C1.
What is the InChIKey of [4-[(3-ethylcyclohexyl)oxymethyl]-2-methoxyphenyl]methanamine?
The InChIKey is YTVIXPZMTWUTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-13-5-4-6-16(9-13)20-12-14-7-8-15(11-18)17(10-14)19-2/h7-8,10,13,16H,3-6,9,11-12,18H2,1-2H3.
What are the key properties of [4-[(3-ethylcyclohexyl)oxymethyl]-2-methoxyphenyl]methanamine?
[4-[(3-ethylcyclohexyl)oxymethyl]-2-methoxyphenyl]methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-ethylcyclohexyl)oxymethyl]-2-methoxyphenyl]methanamine is sourced from PubChem (CID 106786351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).