1-(4-bromophenyl)-2-(3,4-dimethylphenyl)propan-2-amine

C17H20BrN — CID 63411763

IUPAC1-(4-bromophenyl)-2-(3,4-dimethylphenyl)propan-2-amine
SMILESCc1ccc(C(C)(N)Cc2ccc(Br)cc2)cc1C
InChIInChI=1S/C17H20BrN/c1-12-4-7-15(10-13(12)2)17(3,19)11-14-5-8-16(18)9-6-14/h4-10H,11,19H2,1-3H3
InChIKeyJLRZXUAIQYFQMA-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.48
Rot. Bonds3

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

1-(4-bromophenyl)-2-(3,4-dimethylphenyl)propan-2-amine (PubChem CID 63411763) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(3,4-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(3,4-dimethylphenyl)propan-2-amine
PubChem CID63411763
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name1-(4-bromophenyl)-2-(3,4-dimethylphenyl)propan-2-amine
SMILESCc1ccc(C(C)(N)Cc2ccc(Br)cc2)cc1C
InChIInChI=1S/C17H20BrN/c1-12-4-7-15(10-13(12)2)17(3,19)11-14-5-8-16(18)9-6-14/h4-10H,11,19H2,1-3H3
InChIKeyJLRZXUAIQYFQMA-UHFFFAOYSA-N
XLogP4.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-2-(2,5-dimethylphenyl)propan-2-amine
CID 55186203
1-(4-bromothiophen-2-yl)-2-(3,4-dimethylphenyl)propan-2-amine
CID 62621109
1-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-amine
CID 105403015
1-(3,4-dimethylphenyl)-2-(4-ethylphenyl)propan-2-amine
CID 63408206
2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol
CID 63406671
1-(3-bromo-5-fluorophenyl)-2-(4-bromophenyl)propan-2-amine
CID 79701638
2-(4-bromophenyl)-1-(5-bromo-3-pyridinyl)propan-2-amine
CID 104802785
4-[2-(4-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1,2-dimethylbenzene
CID 79444727
2-(4-bromophenyl)-1-thiophen-3-ylpropan-2-amine
CID 62622195
2-(4-bromo-2-chlorophenyl)-1-(4-bromophenyl)propan-2-amine
CID 82780088
3-amino-3-(3,4-dimethylphenyl)butan-1-ol
CID 65239742
2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
CID 82870328

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(3,4-dimethylphenyl)propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-2-(3,4-dimethylphenyl)propan-2-amine (CID 63411763) is 1-(4-bromophenyl)-2-(3,4-dimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-2-(3,4-dimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-2-(3,4-dimethylphenyl)propan-2-amine is Cc1ccc(C(C)(N)Cc2ccc(Br)cc2)cc1C.
What is the InChIKey of 1-(4-bromophenyl)-2-(3,4-dimethylphenyl)propan-2-amine?
The InChIKey is JLRZXUAIQYFQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-12-4-7-15(10-13(12)2)17(3,19)11-14-5-8-16(18)9-6-14/h4-10H,11,19H2,1-3H3.
What are the key properties of 1-(4-bromophenyl)-2-(3,4-dimethylphenyl)propan-2-amine?
1-(4-bromophenyl)-2-(3,4-dimethylphenyl)propan-2-amine has a molecular weight of 318.26 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(3,4-dimethylphenyl)propan-2-amine is sourced from PubChem (CID 63411763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).