1-(3-bromo-4-ethoxyphenyl)-2-(4-methylphenyl)ethanamine

C17H20BrNO — CID 104657305

IUPAC1-(3-bromo-4-ethoxyphenyl)-2-(4-methylphenyl)ethanamine
SMILESCCOc1ccc(C(N)Cc2ccc(C)cc2)cc1Br
InChIInChI=1S/C17H20BrNO/c1-3-20-17-9-8-14(11-15(17)18)16(19)10-13-6-4-12(2)5-7-13/h4-9,11,16H,3,10,19H2,1-2H3
InChIKeyWPQXACNQLWBRKW-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.40
Rot. Bonds5

About 1-(3-bromo-4-ethoxyphenyl)-2-(4-methylphenyl)ethanamine

1-(3-bromo-4-ethoxyphenyl)-2-(4-methylphenyl)ethanamine (PubChem CID 104657305) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(3-bromo-4-ethoxyphenyl)-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-ethoxyphenyl)-2-(4-methylphenyl)ethanamine
PubChem CID104657305
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-(3-bromo-4-ethoxyphenyl)-2-(4-methylphenyl)ethanamine
SMILESCCOc1ccc(C(N)Cc2ccc(C)cc2)cc1Br
InChIInChI=1S/C17H20BrNO/c1-3-20-17-9-8-14(11-15(17)18)16(19)10-13-6-4-12(2)5-7-13/h4-9,11,16H,3,10,19H2,1-2H3
InChIKeyWPQXACNQLWBRKW-UHFFFAOYSA-N
XLogP4.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanamine
CID 104657422
1-(3-bromo-4-ethoxyphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 104657340
1-(3-bromo-4-ethoxyphenyl)heptan-1-amine
CID 114752689
1-(3-bromo-4-ethoxyphenyl)-3-methylpentan-1-amine
CID 114874622
1-(3-bromo-4-ethoxyphenyl)nonan-1-amine
CID 104657385
1-(3-bromo-4-ethoxyphenyl)decan-1-amine
CID 104657345
1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62553466
1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 104657289
ethyl 4-amino-4-(3-bromo-4-ethoxyphenyl)butanoate
CID 104658343
2-(4-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 24697978
2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482
1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 104661097

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-2-(4-methylphenyl)ethanamine (CID 104657305) is 1-(3-bromo-4-ethoxyphenyl)-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-ethoxyphenyl)-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-ethoxyphenyl)-2-(4-methylphenyl)ethanamine is CCOc1ccc(C(N)Cc2ccc(C)cc2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-ethoxyphenyl)-2-(4-methylphenyl)ethanamine?
The InChIKey is WPQXACNQLWBRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-3-20-17-9-8-14(11-15(17)18)16(19)10-13-6-4-12(2)5-7-13/h4-9,11,16H,3,10,19H2,1-2H3.
What are the key properties of 1-(3-bromo-4-ethoxyphenyl)-2-(4-methylphenyl)ethanamine?
1-(3-bromo-4-ethoxyphenyl)-2-(4-methylphenyl)ethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-ethoxyphenyl)-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 104657305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).