2-cyclohexyl-2-ethoxy-1-(2-ethoxyphenyl)ethanamine

C18H29NO2 — CID 116771976

IUPAC2-cyclohexyl-2-ethoxy-1-(2-ethoxyphenyl)ethanamine
SMILESCCOc1ccccc1C(N)C(OCC)C1CCCCC1
InChIInChI=1S/C18H29NO2/c1-3-20-16-13-9-8-12-15(16)17(19)18(21-4-2)14-10-6-5-7-11-14/h8-9,12-14,17-18H,3-7,10-11,19H2,1-2H3
InChIKeyNOZFSOBEIOKCCK-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.07
Rot. Bonds7

About 2-cyclohexyl-2-ethoxy-1-(2-ethoxyphenyl)ethanamine

2-cyclohexyl-2-ethoxy-1-(2-ethoxyphenyl)ethanamine (PubChem CID 116771976) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-cyclohexyl-2-ethoxy-1-(2-ethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-2-ethoxy-1-(2-ethoxyphenyl)ethanamine
PubChem CID116771976
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-cyclohexyl-2-ethoxy-1-(2-ethoxyphenyl)ethanamine
SMILESCCOc1ccccc1C(N)C(OCC)C1CCCCC1
InChIInChI=1S/C18H29NO2/c1-3-20-16-13-9-8-12-15(16)17(19)18(21-4-2)14-10-6-5-7-11-14/h8-9,12-14,17-18H,3-7,10-11,19H2,1-2H3
InChIKeyNOZFSOBEIOKCCK-UHFFFAOYSA-N
XLogP4.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-amino-2-cyclohexyl-2-ethoxyethyl)pyridin-2-amine
CID 116772126
2-cyclohexyl-2-ethoxy-1-(4-methyl-3-pyridinyl)ethanamine
CID 116772054
2-cyclopropyl-2-methoxy-1-(2-propoxyphenyl)ethanamine
CID 116721965
2-ethoxy-1-(2-ethoxyphenyl)butan-1-amine
CID 116716256
2-(cyclohexylamino)-2-(2-ethoxyphenyl)acetamide
CID 60997548
1-cyclopentyl-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 62801897
[2-cyclohexyl-2-ethoxy-1-(2-methylphenyl)ethyl]hydrazine
CID 105278786
1-cyclohexyl-3-(2,6-dimethylphenyl)-1-ethoxypropan-2-amine
CID 116772041
N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 62802061
N'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
CID 43267133
[2-cyclopropyl-2-ethoxy-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105272972
1-(3-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxyethanamine
CID 107360324

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-ethoxy-1-(2-ethoxyphenyl)ethanamine?
The IUPAC name of 2-cyclohexyl-2-ethoxy-1-(2-ethoxyphenyl)ethanamine (CID 116771976) is 2-cyclohexyl-2-ethoxy-1-(2-ethoxyphenyl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-2-ethoxy-1-(2-ethoxyphenyl)ethanamine?
The canonical SMILES for 2-cyclohexyl-2-ethoxy-1-(2-ethoxyphenyl)ethanamine is CCOc1ccccc1C(N)C(OCC)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-ethoxy-1-(2-ethoxyphenyl)ethanamine?
The InChIKey is NOZFSOBEIOKCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-20-16-13-9-8-12-15(16)17(19)18(21-4-2)14-10-6-5-7-11-14/h8-9,12-14,17-18H,3-7,10-11,19H2,1-2H3.
What are the key properties of 2-cyclohexyl-2-ethoxy-1-(2-ethoxyphenyl)ethanamine?
2-cyclohexyl-2-ethoxy-1-(2-ethoxyphenyl)ethanamine has a molecular weight of 291.44 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-ethoxy-1-(2-ethoxyphenyl)ethanamine is sourced from PubChem (CID 116771976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).