2-(3,5-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine

C17H21NO2 — CID 16793482

IUPAC2-(3,5-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)COc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C17H21NO2/c1-12-8-13(2)10-16(9-12)20-11-17(18)14-4-6-15(19-3)7-5-14/h4-10,17H,11,18H2,1-3H3
InChIKeyWKQVUVWQQVBGPW-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.39
Rot. Bonds5

About 2-(3,5-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine

2-(3,5-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine (PubChem CID 16793482) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine
PubChem CID16793482
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-(3,5-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)COc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C17H21NO2/c1-12-8-13(2)10-16(9-12)20-11-17(18)14-4-6-15(19-3)7-5-14/h4-10,17H,11,18H2,1-3H3
InChIKeyWKQVUVWQQVBGPW-UHFFFAOYSA-N
XLogP3.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine
CID 16784581
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethylphenoxy)ethanamine
CID 16787425
2-[3-(methoxymethyl)phenoxy]-1-(4-methoxyphenyl)ethanamine
CID 63986560
2-(1,3-benzodioxol-5-yloxy)-1-(4-methoxyphenyl)ethanamine
CID 43211655
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 82027704
4-[1-amino-2-(4-methylphenoxy)ethyl]phenol
CID 117244673
2-[2-amino-2-(4-methoxyphenyl)ethoxy]phenol
CID 117244585
1-(4-tert-butylphenyl)-2-(4-methylphenoxy)ethanamine
CID 43106889
1-(4-ethylphenyl)-2-(4-methylphenoxy)ethanamine
CID 43105094
2-(3-methylphenoxy)-1-naphthalen-2-ylethanamine
CID 43093388
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122
1-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethanamine
CID 54936821

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(3,5-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine (CID 16793482) is 2-(3,5-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(N)COc2cc(C)cc(C)c2)cc1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine?
The InChIKey is WKQVUVWQQVBGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-8-13(2)10-16(9-12)20-11-17(18)14-4-6-15(19-3)7-5-14/h4-10,17H,11,18H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine?
2-(3,5-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 16793482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).