3-(3-bromo-4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine

C18H22BrNO — CID 79430417

IUPAC3-(3-bromo-4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine
SMILESCNCC(Cc1ccc(OC)c(Br)c1)c1ccc(C)cc1
InChIInChI=1S/C18H22BrNO/c1-13-4-7-15(8-5-13)16(12-20-2)10-14-6-9-18(21-3)17(19)11-14/h4-9,11,16,20H,10,12H2,1-3H3
InChIKeyMTNQYXMHRYEQGZ-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.31
Rot. Bonds6

About 3-(3-bromo-4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine

3-(3-bromo-4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine (PubChem CID 79430417) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine
PubChem CID79430417
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name3-(3-bromo-4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine
SMILESCNCC(Cc1ccc(OC)c(Br)c1)c1ccc(C)cc1
InChIInChI=1S/C18H22BrNO/c1-13-4-7-15(8-5-13)16(12-20-2)10-14-6-9-18(21-3)17(19)11-14/h4-9,11,16,20H,10,12H2,1-3H3
InChIKeyMTNQYXMHRYEQGZ-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2,3-bis(4-methylphenyl)propan-1-amine
CID 79437244
3-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine
CID 79438085
3-(3-bromo-4-methoxyphenyl)-2-(4-methylphenyl)propanoic acid
CID 79432064
3-(3-bromo-4-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62530687
3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 112538798
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115779535
2-bromo-1-methoxy-4-[(4-methylphenyl)sulfanylmethyl]benzene
CID 60672064
2-(3,4-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 3070941
3-(3-bromo-4-methoxyphenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516448
2-bromo-4-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-methoxybenzene
CID 63435707
1-(3-bromo-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859158

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine (CID 79430417) is 3-(3-bromo-4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine is CNCC(Cc1ccc(OC)c(Br)c1)c1ccc(C)cc1.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine?
The InChIKey is MTNQYXMHRYEQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-13-4-7-15(8-5-13)16(12-20-2)10-14-6-9-18(21-3)17(19)11-14/h4-9,11,16,20H,10,12H2,1-3H3.
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine?
3-(3-bromo-4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine has a molecular weight of 348.28 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 79430417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).