2-(4-bromophenyl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine

C17H20BrNO — CID 79441963

IUPAC2-(4-bromophenyl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccccc1OC)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO/c1-19-12-15(13-7-9-16(18)10-8-13)11-14-5-3-4-6-17(14)20-2/h3-10,15,19H,11-12H2,1-2H3
InChIKeyUABZELPENIGHAU-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.00
Rot. Bonds6

About 2-(4-bromophenyl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine

2-(4-bromophenyl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine (PubChem CID 79441963) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine
PubChem CID79441963
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name2-(4-bromophenyl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccccc1OC)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO/c1-19-12-15(13-7-9-16(18)10-8-13)11-14-5-3-4-6-17(14)20-2/h3-10,15,19H,11-12H2,1-2H3
InChIKeyUABZELPENIGHAU-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-4-[1-chloro-3-(2-methoxyphenyl)propan-2-yl]benzene
CID 79434338
1-(2-methoxyphenyl)-3-(methylamino)propan-2-ol
CID 64983172
3-(2-fluoro-3-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine
CID 104794718
2-[(2-methoxyphenyl)methyl]-N-methylbutan-1-amine
CID 62530565
1-bromo-4-[2-bromo-3-(2-methoxyphenyl)propyl]benzene
CID 121269535
2-(2-bromophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-1-amine
CID 104794735
1-bromo-3-[1-bromo-3-(2-methoxyphenyl)propan-2-yl]benzene
CID 79431763
3-(2-bromophenyl)-2-(4-bromophenyl)-N-propan-2-ylpropan-1-amine
CID 79430471
2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine
CID 79443596
1-(3-bromo-4-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43479915
2-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 103049778
1-bromo-3-[1-bromo-2-(2-methoxyphenyl)ethyl]benzene
CID 55225417

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-(4-bromophenyl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine (CID 79441963) is 2-(4-bromophenyl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine is CNCC(Cc1ccccc1OC)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine?
The InChIKey is UABZELPENIGHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-19-12-15(13-7-9-16(18)10-8-13)11-14-5-3-4-6-17(14)20-2/h3-10,15,19H,11-12H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine?
2-(4-bromophenyl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine has a molecular weight of 334.26 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 79441963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).