2-cyclohexyl-N-ethyl-2-(3-methoxyphenyl)ethanamine

C17H27NO — CID 82936496

IUPAC2-cyclohexyl-N-ethyl-2-(3-methoxyphenyl)ethanamine
SMILESCCNCC(c1cccc(OC)c1)C1CCCCC1
InChIInChI=1S/C17H27NO/c1-3-18-13-17(14-8-5-4-6-9-14)15-10-7-11-16(12-15)19-2/h7,10-12,14,17-18H,3-6,8-9,13H2,1-2H3
InChIKeyCUQIGYVJZHIQBX-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.97
Rot. Bonds6

About 2-cyclohexyl-N-ethyl-2-(3-methoxyphenyl)ethanamine

2-cyclohexyl-N-ethyl-2-(3-methoxyphenyl)ethanamine (PubChem CID 82936496) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-cyclohexyl-N-ethyl-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-ethyl-2-(3-methoxyphenyl)ethanamine
PubChem CID82936496
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-cyclohexyl-N-ethyl-2-(3-methoxyphenyl)ethanamine
SMILESCCNCC(c1cccc(OC)c1)C1CCCCC1
InChIInChI=1S/C17H27NO/c1-3-18-13-17(14-8-5-4-6-9-14)15-10-7-11-16(12-15)19-2/h7,10-12,14,17-18H,3-6,8-9,13H2,1-2H3
InChIKeyCUQIGYVJZHIQBX-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-cyclohexyl-2-(3-methoxyphenyl)ethyl]cyclopropanamine
CID 82937261
2-cyclopentyl-2-(3-methoxyphenyl)-N-methylethanamine
CID 79019406
2-cyclohexyloxy-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 62106648
N-[cyclopentyl-(3-methoxyphenyl)methyl]ethanamine
CID 60797775
[cyclohexyl-(3-methoxyphenyl)methyl]hydrazine
CID 105191678
(1S,5R)-1,5-di(cyclobutyl)-1,5-bis(3-methoxyphenyl)pentan-3-one
CID 97304184
(1S,5S)-1,5-di(cyclobutyl)-1,5-bis(3-methoxyphenyl)pentan-3-one
CID 97304186
1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 63478190
N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177837
2-cycloheptyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 82933615
2-(2-cyclobutylethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 106205144
N-[cyclopropyl-(3-methoxyphenyl)methyl]ethanamine
CID 60820098

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-ethyl-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-cyclohexyl-N-ethyl-2-(3-methoxyphenyl)ethanamine (CID 82936496) is 2-cyclohexyl-N-ethyl-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-N-ethyl-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-cyclohexyl-N-ethyl-2-(3-methoxyphenyl)ethanamine is CCNCC(c1cccc(OC)c1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-ethyl-2-(3-methoxyphenyl)ethanamine?
The InChIKey is CUQIGYVJZHIQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-18-13-17(14-8-5-4-6-9-14)15-10-7-11-16(12-15)19-2/h7,10-12,14,17-18H,3-6,8-9,13H2,1-2H3.
What are the key properties of 2-cyclohexyl-N-ethyl-2-(3-methoxyphenyl)ethanamine?
2-cyclohexyl-N-ethyl-2-(3-methoxyphenyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-ethyl-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 82936496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).