2-(3,4-dimethylphenoxy)-1-phenylethanamine

C16H19NO — CID 16786157

IUPAC2-(3,4-dimethylphenoxy)-1-phenylethanamine
SMILESCc1ccc(OCC(N)c2ccccc2)cc1C
InChIInChI=1S/C16H19NO/c1-12-8-9-15(10-13(12)2)18-11-16(17)14-6-4-3-5-7-14/h3-10,16H,11,17H2,1-2H3
InChIKeyZKAURCYQJYUUKS-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.38
Rot. Bonds4

About 2-(3,4-dimethylphenoxy)-1-phenylethanamine

2-(3,4-dimethylphenoxy)-1-phenylethanamine (PubChem CID 16786157) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-1-phenylethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-1-phenylethanamine
PubChem CID16786157
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-(3,4-dimethylphenoxy)-1-phenylethanamine
SMILESCc1ccc(OCC(N)c2ccccc2)cc1C
InChIInChI=1S/C16H19NO/c1-12-8-9-15(10-13(12)2)18-11-16(17)14-6-4-3-5-7-14/h3-10,16H,11,17H2,1-2H3
InChIKeyZKAURCYQJYUUKS-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride
CID 162339872
2-(3,4-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine
CID 16784581
2-(3-ethoxyphenoxy)-1-phenylethanamine
CID 62335579
2-(3,4-difluorophenoxy)-1-phenylethanamine
CID 63772754
(1S)-2-phenoxy-1-phenylethanamine;hydrochloride
CID 131882540
4-(2,2-dimethoxyethoxy)-1,2-dimethylbenzene
CID 66223394
2-(3-ethylphenoxy)-1-phenylethanamine
CID 43211626
2-(3-tert-butylphenoxy)-1-phenylethanamine
CID 43351796
2-(4-bromophenoxy)-1-phenylethanamine
CID 63771219
(1R)-2-(2,6-dimethylphenoxy)-1-phenylethanamine
CID 10377047
2-(4-chloro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 63500552
2-(4-bromo-3-fluorophenoxy)-1-phenylethanamine
CID 65203757

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-1-phenylethanamine?
The IUPAC name of 2-(3,4-dimethylphenoxy)-1-phenylethanamine (CID 16786157) is 2-(3,4-dimethylphenoxy)-1-phenylethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-1-phenylethanamine?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-1-phenylethanamine is Cc1ccc(OCC(N)c2ccccc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-1-phenylethanamine?
The InChIKey is ZKAURCYQJYUUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-8-9-15(10-13(12)2)18-11-16(17)14-6-4-3-5-7-14/h3-10,16H,11,17H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-1-phenylethanamine?
2-(3,4-dimethylphenoxy)-1-phenylethanamine has a molecular weight of 241.33 g/mol, XLogP of 3.38, 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)-1-phenylethanamine is sourced from PubChem (CID 16786157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).