1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine

C16H18BrNO — CID 61064465

IUPAC1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)cc1)c1cccc(Br)c1
InChIInChI=1S/C16H18BrNO/c1-18-16(13-4-3-5-14(17)11-13)10-12-6-8-15(19-2)9-7-12/h3-9,11,16,18H,10H2,1-2H3
InChIKeyJAWGTNPSLMBABE-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.96
Rot. Bonds5

About 1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine

1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine (PubChem CID 61064465) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
PubChem CID61064465
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)cc1)c1cccc(Br)c1
InChIInChI=1S/C16H18BrNO/c1-18-16(13-4-3-5-14(17)11-13)10-12-6-8-15(19-2)9-7-12/h3-9,11,16,18H,10H2,1-2H3
InChIKeyJAWGTNPSLMBABE-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799436
1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818143
1-(3-bromophenyl)-2-(4-tert-butylphenyl)-N-methylethanamine
CID 63412783
2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799315
1-(3-bromophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63412697
1-(4-bromo-3-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81296013
1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 60818684
2-(4-bromophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 63527212
2-(2-bromo-5-methoxyphenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 65325112
N-[1-(3-bromophenyl)propyl]-4-methoxyaniline
CID 43766009
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 43481478
1-(4-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81288682

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine (CID 61064465) is 1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccc(OC)cc1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine?
The InChIKey is JAWGTNPSLMBABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-18-16(13-4-3-5-14(17)11-13)10-12-6-8-15(19-2)9-7-12/h3-9,11,16,18H,10H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine?
1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine has a molecular weight of 320.23 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 61064465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).