1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanamine

C18H23NO2 — CID 115803058

IUPAC1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(CC(N)c2c(OC)cccc2OC)cc1
InChIInChI=1S/C18H23NO2/c1-4-13-8-10-14(11-9-13)12-15(19)18-16(20-2)6-5-7-17(18)21-3/h5-11,15H,4,12,19H2,1-3H3
InChIKeyRLWRTZWECDWIMQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.51
Rot. Bonds6

About 1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanamine

1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanamine (PubChem CID 115803058) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanamine
PubChem CID115803058
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(CC(N)c2c(OC)cccc2OC)cc1
InChIInChI=1S/C18H23NO2/c1-4-13-8-10-14(11-9-13)12-15(19)18-16(20-2)6-5-7-17(18)21-3/h5-11,15H,4,12,19H2,1-3H3
InChIKeyRLWRTZWECDWIMQ-UHFFFAOYSA-N
XLogP3.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanol
CID 114980746
(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 171201163
1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine
CID 65434992
1-(2,6-dimethoxyphenyl)ethane-1,2-diamine
CID 22756535
(1S)-1-(2,6-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201155
(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
CID 171201173
(1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171220717
(1S)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171220710
1-(2-fluoro-3-methoxyphenyl)-2-(4-fluorophenyl)ethanamine
CID 82807908
2-(4-ethylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 115803358
(3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171201207
(2,6-dimethoxyphenyl)-(4-ethylphenyl)methanone
CID 43338330

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanamine?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanamine (CID 115803058) is 1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanamine.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanamine?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanamine is CCc1ccc(CC(N)c2c(OC)cccc2OC)cc1.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanamine?
The InChIKey is RLWRTZWECDWIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-13-8-10-14(11-9-13)12-15(19)18-16(20-2)6-5-7-17(18)21-3/h5-11,15H,4,12,19H2,1-3H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanamine?
1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 115803058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).