[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]methanamine

C16H25NO2 — CID 64748065

IUPAC[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]methanamine
SMILESCCOc1cccc(CN)c1OC1CCC(C)CC1
InChIInChI=1S/C16H25NO2/c1-3-18-15-6-4-5-13(11-17)16(15)19-14-9-7-12(2)8-10-14/h4-6,12,14H,3,7-11,17H2,1-2H3
InChIKeyRAABGPLBYNRAFO-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.50
Rot. Bonds5

About [3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]methanamine

[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]methanamine (PubChem CID 64748065) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]methanamine
PubChem CID64748065
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]methanamine
SMILESCCOc1cccc(CN)c1OC1CCC(C)CC1
InChIInChI=1S/C16H25NO2/c1-3-18-15-6-4-5-13(11-17)16(15)19-14-9-7-12(2)8-10-14/h4-6,12,14H,3,7-11,17H2,1-2H3
InChIKeyRAABGPLBYNRAFO-UHFFFAOYSA-N
XLogP3.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 64750217
2-[2-(aminomethyl)-6-ethoxyphenoxy]cyclopentan-1-ol
CID 60877757
[3-ethoxy-2-(2-ethylcyclohexyl)oxyphenyl]methanamine
CID 63861212
1-(chloromethyl)-2-cyclopentyloxy-3-ethoxybenzene
CID 43174667
(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488
1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine
CID 54929333
2-[2-(aminomethyl)-6-ethoxyphenoxy]propanamide
CID 43366644
[2-[3-(4-methylcyclohexyl)oxypropoxy]phenyl]methanamine
CID 43254199
2-[2-(aminomethyl)-6-ethoxyphenoxy]pentanoic acid
CID 83037756
[2-(4-ethylcyclohexyl)oxyphenyl]methanamine
CID 19627431
[3-methoxy-2-(1-methylazepan-4-yl)oxyphenyl]methanamine
CID 117052051
[2-(4-methylcyclohexyl)oxy-4-propoxyphenyl]methanamine
CID 64749837

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]methanamine?
The IUPAC name of [3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]methanamine (CID 64748065) is [3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]methanamine.
What is the SMILES notation for [3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]methanamine?
The canonical SMILES for [3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]methanamine is CCOc1cccc(CN)c1OC1CCC(C)CC1.
What is the InChIKey of [3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]methanamine?
The InChIKey is RAABGPLBYNRAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-18-15-6-4-5-13(11-17)16(15)19-14-9-7-12(2)8-10-14/h4-6,12,14H,3,7-11,17H2,1-2H3.
What are the key properties of [3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]methanamine?
[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]methanamine is sourced from PubChem (CID 64748065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).