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

C17H27NO2 — CID 62017257

IUPAC[3-[(2-ethylcyclohexyl)oxymethyl]-4-methoxyphenyl]methanamine
SMILESCCC1CCCCC1OCc1cc(CN)ccc1OC
InChIInChI=1S/C17H27NO2/c1-3-14-6-4-5-7-17(14)20-12-15-10-13(11-18)8-9-16(15)19-2/h8-10,14,17H,3-7,11-12,18H2,1-2H3
InChIKeyMNOFFYJNFWGPRO-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.64
Rot. Bonds6

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

[3-[(2-ethylcyclohexyl)oxymethyl]-4-methoxyphenyl]methanamine (PubChem CID 62017257) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is [3-[(2-ethylcyclohexyl)oxymethyl]-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-[(2-ethylcyclohexyl)oxymethyl]-4-methoxyphenyl]methanamine
PubChem CID62017257
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name[3-[(2-ethylcyclohexyl)oxymethyl]-4-methoxyphenyl]methanamine
SMILESCCC1CCCCC1OCc1cc(CN)ccc1OC
InChIInChI=1S/C17H27NO2/c1-3-14-6-4-5-7-17(14)20-12-15-10-13(11-18)8-9-16(15)19-2/h8-10,14,17H,3-7,11-12,18H2,1-2H3
InChIKeyMNOFFYJNFWGPRO-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-[(2-ethylcyclohexyl)oxymethyl]-2-methoxyaniline
CID 43094706
[5-(cyclohexyloxymethyl)-2-methoxyphenyl]methanamine
CID 65338634
[4-[(2-ethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methanamine
CID 62445112
[3-(cycloheptyloxymethyl)-4-methoxyphenyl]methanol
CID 62018226
[3-(cyclopentylmethylsulfanylmethyl)-4-methoxyphenyl]methanamine
CID 64626991
2-[(3-ethyl-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 82383669
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-cyclohexyl-N-methylmethanamine
CID 62018368
[3-(cyclohexylsulfonylmethyl)-4-methoxyphenyl]methanamine
CID 64673615
[4-methoxy-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine
CID 62018202
[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 62018565
[3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride
CID 156589399
2-[(5-bromo-2-methoxyphenyl)methoxy]-N-methylcyclohexan-1-amine
CID 102633518

Frequently Asked Questions

What is the IUPAC name of [3-[(2-ethylcyclohexyl)oxymethyl]-4-methoxyphenyl]methanamine?
The IUPAC name of [3-[(2-ethylcyclohexyl)oxymethyl]-4-methoxyphenyl]methanamine (CID 62017257) is [3-[(2-ethylcyclohexyl)oxymethyl]-4-methoxyphenyl]methanamine.
What is the SMILES notation for [3-[(2-ethylcyclohexyl)oxymethyl]-4-methoxyphenyl]methanamine?
The canonical SMILES for [3-[(2-ethylcyclohexyl)oxymethyl]-4-methoxyphenyl]methanamine is CCC1CCCCC1OCc1cc(CN)ccc1OC.
What is the InChIKey of [3-[(2-ethylcyclohexyl)oxymethyl]-4-methoxyphenyl]methanamine?
The InChIKey is MNOFFYJNFWGPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-14-6-4-5-7-17(14)20-12-15-10-13(11-18)8-9-16(15)19-2/h8-10,14,17H,3-7,11-12,18H2,1-2H3.
What are the key properties of [3-[(2-ethylcyclohexyl)oxymethyl]-4-methoxyphenyl]methanamine?
[3-[(2-ethylcyclohexyl)oxymethyl]-4-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 [3-[(2-ethylcyclohexyl)oxymethyl]-4-methoxyphenyl]methanamine is sourced from PubChem (CID 62017257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).