2-(3,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)ethanamine

C18H23NO — CID 82045172

IUPAC2-(3,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(CN)Oc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H23NO/c1-12-5-6-14(3)17(9-12)18(11-19)20-16-8-7-13(2)15(4)10-16/h5-10,18H,11,19H2,1-4H3
InChIKeyCQMXXONEZYZTEN-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.00
Rot. Bonds4

About 2-(3,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)ethanamine

2-(3,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)ethanamine (PubChem CID 82045172) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)ethanamine
PubChem CID82045172
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-(3,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)ethanamine
SMILESCc1ccc(C)c(C(CN)Oc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H23NO/c1-12-5-6-14(3)17(9-12)18(11-19)20-16-8-7-13(2)15(4)10-16/h5-10,18H,11,19H2,1-4H3
InChIKeyCQMXXONEZYZTEN-UHFFFAOYSA-N
XLogP4.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethylphenoxy)propan-1-amine
CID 17169740
2-(2-bromophenyl)-2-(3-methylphenoxy)ethanamine
CID 55022790
2-(2-bromophenyl)-2-(4-methylphenoxy)ethanamine
CID 55022309
1-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 65384942
3-amino-2-(2,5-dimethylphenyl)propan-1-ol
CID 82280728
2-(4-bromo-3,5-dimethylphenoxy)-2-(2-bromophenyl)ethanamine
CID 107722774
2-(3-methyl-4-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine
CID 55022021
1-(2,5-dimethylphenyl)propane-1,3-diamine
CID 116932732
[2-(3,4-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62309021
3-amino-2-(2,5-dimethylphenyl)propanenitrile
CID 82503364
2-(4-chlorophenyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
CID 107168741
2-(aminomethyl)-3-(2,5-dimethylphenyl)butanoic acid
CID 69267265

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)ethanamine?
The IUPAC name of 2-(3,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)ethanamine (CID 82045172) is 2-(3,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)ethanamine is Cc1ccc(C)c(C(CN)Oc2ccc(C)c(C)c2)c1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)ethanamine?
The InChIKey is CQMXXONEZYZTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-12-5-6-14(3)17(9-12)18(11-19)20-16-8-7-13(2)15(4)10-16/h5-10,18H,11,19H2,1-4H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)ethanamine?
2-(3,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-2-(2,5-dimethylphenyl)ethanamine is sourced from PubChem (CID 82045172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).