2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine

C17H20BrNO — CID 61065671

IUPAC2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1ccc(C)c(OC)c1
InChIInChI=1S/C17H20BrNO/c1-12-4-7-14(11-17(12)20-3)16(19-2)10-13-5-8-15(18)9-6-13/h4-9,11,16,19H,10H2,1-3H3
InChIKeyUAASLWPVIWAKOD-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.27
Rot. Bonds5

About 2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine

2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine (PubChem CID 61065671) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
PubChem CID61065671
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1ccc(C)c(OC)c1
InChIInChI=1S/C17H20BrNO/c1-12-4-7-14(11-17(12)20-3)16(19-2)10-13-5-8-15(18)9-6-13/h4-9,11,16,19H,10H2,1-3H3
InChIKeyUAASLWPVIWAKOD-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 81284038
1-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 43479969
2-(3,5-difluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 105412582
2-(4-bromophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799436
2-(4-chloro-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 107891735
2-(3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 61066475
2-(5-bromothiophen-2-yl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 115841037
1-(4-methoxy-3-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43487404
1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 43479903
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 63413113
2-(5-bromo-2-methoxyphenyl)-1-(4-bromo-3-methylphenyl)-N-methylethanamine
CID 115817291
2-(4-bromophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43480571

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine (CID 61065671) is 2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine is CNC(Cc1ccc(Br)cc1)c1ccc(C)c(OC)c1.
What is the InChIKey of 2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine?
The InChIKey is UAASLWPVIWAKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-12-4-7-14(11-17(12)20-3)16(19-2)10-13-5-8-15(18)9-6-13/h4-9,11,16,19H,10H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine?
2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 61065671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).