2-cyclohexyl-1-(3-ethoxyphenyl)-2-methoxyethanamine

C17H27NO2 — CID 116771298

IUPAC2-cyclohexyl-1-(3-ethoxyphenyl)-2-methoxyethanamine
SMILESCCOc1cccc(C(N)C(OC)C2CCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-3-20-15-11-7-10-14(12-15)16(18)17(19-2)13-8-5-4-6-9-13/h7,10-13,16-17H,3-6,8-9,18H2,1-2H3
InChIKeyDOYQGYKWIQXLHF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.68
Rot. Bonds6

About 2-cyclohexyl-1-(3-ethoxyphenyl)-2-methoxyethanamine

2-cyclohexyl-1-(3-ethoxyphenyl)-2-methoxyethanamine (PubChem CID 116771298) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3-ethoxyphenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-(3-ethoxyphenyl)-2-methoxyethanamine
PubChem CID116771298
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-cyclohexyl-1-(3-ethoxyphenyl)-2-methoxyethanamine
SMILESCCOc1cccc(C(N)C(OC)C2CCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-3-20-15-11-7-10-14(12-15)16(18)17(19-2)13-8-5-4-6-9-13/h7,10-13,16-17H,3-6,8-9,18H2,1-2H3
InChIKeyDOYQGYKWIQXLHF-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-cyclopentyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171225239
2-cyclopentyl-2-(3-ethoxyphenyl)ethanamine
CID 83973259
2-cycloheptyl-1-(3-ethoxyphenyl)ethanamine
CID 105022380
(R)-cyclobutyl-(3-ethoxyphenyl)methanamine;hydrochloride
CID 171205660
1-cyclopentyl-2-(3-ethoxyphenoxy)ethanamine
CID 104749344
[cyclopentyl-(3-ethoxyphenyl)methyl]hydrazine
CID 105191906
N-cyclohexyl-1-(3-ethoxyphenyl)ethane-1,2-diamine
CID 65383474
1-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 79444348
2-(cyclohexylamino)-2-(3-ethoxyphenyl)ethanol
CID 61047485
1-(3-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 105022384
(1S,2R)-1-amino-1-(3-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171268301
1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine
CID 171277901

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3-ethoxyphenyl)-2-methoxyethanamine?
The IUPAC name of 2-cyclohexyl-1-(3-ethoxyphenyl)-2-methoxyethanamine (CID 116771298) is 2-cyclohexyl-1-(3-ethoxyphenyl)-2-methoxyethanamine.
What is the SMILES notation for 2-cyclohexyl-1-(3-ethoxyphenyl)-2-methoxyethanamine?
The canonical SMILES for 2-cyclohexyl-1-(3-ethoxyphenyl)-2-methoxyethanamine is CCOc1cccc(C(N)C(OC)C2CCCCC2)c1.
What is the InChIKey of 2-cyclohexyl-1-(3-ethoxyphenyl)-2-methoxyethanamine?
The InChIKey is DOYQGYKWIQXLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-20-15-11-7-10-14(12-15)16(18)17(19-2)13-8-5-4-6-9-13/h7,10-13,16-17H,3-6,8-9,18H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-(3-ethoxyphenyl)-2-methoxyethanamine?
2-cyclohexyl-1-(3-ethoxyphenyl)-2-methoxyethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3-ethoxyphenyl)-2-methoxyethanamine is sourced from PubChem (CID 116771298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).