[2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine

C16H25NO2 — CID 54793715

IUPAC[2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine
SMILESCOc1cccc(CN)c1OCCC1CCCCC1
InChIInChI=1S/C16H25NO2/c1-18-15-9-5-8-14(12-17)16(15)19-11-10-13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-12,17H2,1H3
InChIKeyCEMYGENWAOKJNQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.50
Rot. Bonds6

About [2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine

[2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine (PubChem CID 54793715) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine
PubChem CID54793715
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine
SMILESCOc1cccc(CN)c1OCCC1CCCCC1
InChIInChI=1S/C16H25NO2/c1-18-15-9-5-8-14(12-17)16(15)19-11-10-13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-12,17H2,1H3
InChIKeyCEMYGENWAOKJNQ-UHFFFAOYSA-N
XLogP3.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-(chloromethyl)-2-(2-cyclohexylethoxy)-3-methoxybenzene
CID 114191426
[3-methoxy-2-[3-(oxolan-2-yl)propoxy]phenyl]methanamine
CID 65158689
(2-cyclopentyloxy-3-methoxyphenyl)methanamine
CID 43471488
1-(2-cyclohexylethyl)-2,3-dimethoxybenzene
CID 140989777
[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine
CID 64552071
[3-methoxy-2-(3-methylbutoxy)phenyl]methanamine
CID 43471421
[2-(2-ethoxyethoxy)-3-methoxyphenyl]methanamine
CID 43471409
3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine
CID 62356017
(5-methoxynaphthalen-1-yl)methanamine
CID 59401298
1-[2-(aminomethyl)-6-methoxyphenoxy]-2-methylpropan-2-ol
CID 60888797
3-[2-(2,6-dimethoxyphenoxy)ethyl]azetidine
CID 107391518
(1R)-1-[2-(2-cyclopropylethoxy)-6-methoxyphenyl]ethanamine
CID 114157550

Frequently Asked Questions

What is the IUPAC name of [2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine?
The IUPAC name of [2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine (CID 54793715) is [2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine.
What is the SMILES notation for [2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine?
The canonical SMILES for [2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine is COc1cccc(CN)c1OCCC1CCCCC1.
What is the InChIKey of [2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine?
The InChIKey is CEMYGENWAOKJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-18-15-9-5-8-14(12-17)16(15)19-11-10-13-6-3-2-4-7-13/h5,8-9,13H,2-4,6-7,10-12,17H2,1H3.
What are the key properties of [2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine?
[2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyclohexylethoxy)-3-methoxyphenyl]methanamine is sourced from PubChem (CID 54793715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).