[3-ethoxy-2-(2-ethylcyclohexyl)oxyphenyl]methanamine

C17H27NO2 — CID 63861212

IUPAC[3-ethoxy-2-(2-ethylcyclohexyl)oxyphenyl]methanamine
SMILESCCOc1cccc(CN)c1OC1CCCCC1CC
InChIInChI=1S/C17H27NO2/c1-3-13-8-5-6-10-15(13)20-17-14(12-18)9-7-11-16(17)19-4-2/h7,9,11,13,15H,3-6,8,10,12,18H2,1-2H3
InChIKeyVUNXBDYQTXKNFG-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.89
Rot. Bonds6

About [3-ethoxy-2-(2-ethylcyclohexyl)oxyphenyl]methanamine

[3-ethoxy-2-(2-ethylcyclohexyl)oxyphenyl]methanamine (PubChem CID 63861212) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is [3-ethoxy-2-(2-ethylcyclohexyl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[3-ethoxy-2-(2-ethylcyclohexyl)oxyphenyl]methanamine
PubChem CID63861212
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name[3-ethoxy-2-(2-ethylcyclohexyl)oxyphenyl]methanamine
SMILESCCOc1cccc(CN)c1OC1CCCCC1CC
InChIInChI=1S/C17H27NO2/c1-3-13-8-5-6-10-15(13)20-17-14(12-18)9-7-11-16(17)19-4-2/h7,9,11,13,15H,3-6,8,10,12,18H2,1-2H3
InChIKeyVUNXBDYQTXKNFG-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-6-ethoxyphenoxy]cyclopentan-1-ol
CID 60877757
3-ethoxy-2-(2-ethylcyclohexyl)oxybenzaldehyde
CID 63861606
[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]methanamine
CID 64748065
1-(chloromethyl)-2-cyclopentyloxy-3-ethoxybenzene
CID 43174667
2-[2-ethoxy-6-(hydroxymethyl)phenoxy]cyclopentan-1-ol
CID 60884406
2-[2-(aminomethyl)-6-ethoxyphenoxy]propanamide
CID 43366644
1-(chloromethyl)-2-(2-ethylcyclohexyl)oxy-3-fluorobenzene
CID 112613680
[3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]methanamine
CID 107741276
(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488
1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine
CID 54929333
1-[3-bromo-2-(2-ethylcyclohexyl)oxyphenyl]butan-2-amine
CID 63862926
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43434085

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-2-(2-ethylcyclohexyl)oxyphenyl]methanamine?
The IUPAC name of [3-ethoxy-2-(2-ethylcyclohexyl)oxyphenyl]methanamine (CID 63861212) is [3-ethoxy-2-(2-ethylcyclohexyl)oxyphenyl]methanamine.
What is the SMILES notation for [3-ethoxy-2-(2-ethylcyclohexyl)oxyphenyl]methanamine?
The canonical SMILES for [3-ethoxy-2-(2-ethylcyclohexyl)oxyphenyl]methanamine is CCOc1cccc(CN)c1OC1CCCCC1CC.
What is the InChIKey of [3-ethoxy-2-(2-ethylcyclohexyl)oxyphenyl]methanamine?
The InChIKey is VUNXBDYQTXKNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-13-8-5-6-10-15(13)20-17-14(12-18)9-7-11-16(17)19-4-2/h7,9,11,13,15H,3-6,8,10,12,18H2,1-2H3.
What are the key properties of [3-ethoxy-2-(2-ethylcyclohexyl)oxyphenyl]methanamine?
[3-ethoxy-2-(2-ethylcyclohexyl)oxyphenyl]methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-2-(2-ethylcyclohexyl)oxyphenyl]methanamine is sourced from PubChem (CID 63861212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).