1-(2,3-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine

C18H23NO2 — CID 105098958

IUPAC1-(2,3-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
SMILESCOc1cccc(C(N)Cc2cc(C)cc(C)c2)c1OC
InChIInChI=1S/C18H23NO2/c1-12-8-13(2)10-14(9-12)11-16(19)15-6-5-7-17(20-3)18(15)21-4/h5-10,16H,11,19H2,1-4H3
InChIKeyQYPAFYGWLGFIAQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.56
Rot. Bonds5

About 1-(2,3-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine

1-(2,3-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine (PubChem CID 105098958) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
PubChem CID105098958
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(2,3-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
SMILESCOc1cccc(C(N)Cc2cc(C)cc(C)c2)c1OC
InChIInChI=1S/C18H23NO2/c1-12-8-13(2)10-14(9-12)11-16(19)15-6-5-7-17(20-3)18(15)21-4/h5-10,16H,11,19H2,1-4H3
InChIKeyQYPAFYGWLGFIAQ-UHFFFAOYSA-N
XLogP3.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 105174573
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 115800843
3-amino-3-(2,3-dimethoxyphenyl)propanamide
CID 43147937
1-(2,3-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 112693542
methyl (3R)-3-amino-3-(2,3-dimethoxyphenyl)propanoate
CID 7175981
2-(4-bromo-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine
CID 105137154
1-(2,3-dichlorophenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 63416558
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethoxyphenyl)ethanamine
CID 102867085
(1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine
CID 93461868
1-(2,3-dimethoxyphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105167670

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine (CID 105098958) is 1-(2,3-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine is COc1cccc(C(N)Cc2cc(C)cc(C)c2)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine?
The InChIKey is QYPAFYGWLGFIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-8-13(2)10-14(9-12)11-16(19)15-6-5-7-17(20-3)18(15)21-4/h5-10,16H,11,19H2,1-4H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine?
1-(2,3-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 105098958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).