3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine

C18H22BrNO — CID 112538798

IUPAC3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
SMILESCOc1ccc(CC(CN)c2ccc(C)cc2C)cc1Br
InChIInChI=1S/C18H22BrNO/c1-12-4-6-16(13(2)8-12)15(11-20)9-14-5-7-18(21-3)17(19)10-14/h4-8,10,15H,9,11,20H2,1-3H3
InChIKeyBDNCLGDXCZULFR-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.36
Rot. Bonds5

About 3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine

3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine (PubChem CID 112538798) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
PubChem CID112538798
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
SMILESCOc1ccc(CC(CN)c2ccc(C)cc2C)cc1Br
InChIInChI=1S/C18H22BrNO/c1-12-4-6-16(13(2)8-12)15(11-20)9-14-5-7-18(21-3)17(19)10-14/h4-8,10,15H,9,11,20H2,1-3H3
InChIKeyBDNCLGDXCZULFR-UHFFFAOYSA-N
XLogP4.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-butoxy-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine
CID 83972849
3-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine
CID 79438085
2-(2,4-dimethylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 83972875
2-(3-bromo-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115779535
2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
CID 83972845
3-(4-ethoxy-3-methoxyphenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974529
3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974597
2-(4-methoxy-2-methylphenyl)-3-(4-methoxy-3-propan-2-yloxyphenyl)propan-1-amine
CID 83974204
2-(2-methoxy-5-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine
CID 82141454
3-(3-bromo-4-methoxyphenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine
CID 79430417
4-[3-amino-2-(2,4-dimethylphenyl)propyl]-2-chlorophenol
CID 83972856
4-[3-amino-2-(4-methoxy-2-methylphenyl)propyl]-2-methoxyphenol
CID 83974199

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine (CID 112538798) is 3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine is COc1ccc(CC(CN)c2ccc(C)cc2C)cc1Br.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine?
The InChIKey is BDNCLGDXCZULFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-12-4-6-16(13(2)8-12)15(11-20)9-14-5-7-18(21-3)17(19)10-14/h4-8,10,15H,9,11,20H2,1-3H3.
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine?
3-(3-bromo-4-methoxyphenyl)-2-(2,4-dimethylphenyl)propan-1-amine has a molecular weight of 348.28 g/mol, XLogP of 4.36, 5 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)-2-(2,4-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 112538798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).