2-(3-bromophenyl)-3-(2,5-dimethylphenyl)propan-1-amine

C17H20BrN — CID 79442545

IUPAC2-(3-bromophenyl)-3-(2,5-dimethylphenyl)propan-1-amine
SMILESCc1ccc(C)c(CC(CN)c2cccc(Br)c2)c1
InChIInChI=1S/C17H20BrN/c1-12-6-7-13(2)15(8-12)9-16(11-19)14-4-3-5-17(18)10-14/h3-8,10,16H,9,11,19H2,1-2H3
InChIKeyLVOCFPKCWGNIBX-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.35
Rot. Bonds4

About 2-(3-bromophenyl)-3-(2,5-dimethylphenyl)propan-1-amine

2-(3-bromophenyl)-3-(2,5-dimethylphenyl)propan-1-amine (PubChem CID 79442545) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(2,5-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(2,5-dimethylphenyl)propan-1-amine
PubChem CID79442545
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name2-(3-bromophenyl)-3-(2,5-dimethylphenyl)propan-1-amine
SMILESCc1ccc(C)c(CC(CN)c2cccc(Br)c2)c1
InChIInChI=1S/C17H20BrN/c1-12-6-7-13(2)15(8-12)9-16(11-19)14-4-3-5-17(18)10-14/h3-8,10,16H,9,11,19H2,1-2H3
InChIKeyLVOCFPKCWGNIBX-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-3-(2-methoxy-5-methylphenyl)propan-1-amine
CID 79442687
2-(3-bromophenyl)-3-(2-methoxyphenyl)propan-1-amine
CID 79443596
2-(3-chlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-1-amine
CID 105375007
3-(2-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79416738
2-(3-bromophenyl)-N'-methylpropane-1,3-diamine
CID 20546518
2-[2-bromo-2-(3-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 63531076
2-[2-(4-bromophenyl)-3-chloropropyl]-1,4-dimethylbenzene
CID 79434130
2-(3-bromophenyl)-4-ethylhexan-1-amine
CID 82929806
2-(3-bromophenyl)-3-thiophen-2-ylpropan-1-amine
CID 79016135
(4S)-5-amino-4-(3-bromophenyl)pentan-2-one
CID 166707434
2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine
CID 83928106
2-(3-bromophenyl)-3-(4-methylphenyl)propan-1-ol
CID 79443372

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(2,5-dimethylphenyl)propan-1-amine?
The IUPAC name of 2-(3-bromophenyl)-3-(2,5-dimethylphenyl)propan-1-amine (CID 79442545) is 2-(3-bromophenyl)-3-(2,5-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-3-(2,5-dimethylphenyl)propan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-3-(2,5-dimethylphenyl)propan-1-amine is Cc1ccc(C)c(CC(CN)c2cccc(Br)c2)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-(2,5-dimethylphenyl)propan-1-amine?
The InChIKey is LVOCFPKCWGNIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-12-6-7-13(2)15(8-12)9-16(11-19)14-4-3-5-17(18)10-14/h3-8,10,16H,9,11,19H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-3-(2,5-dimethylphenyl)propan-1-amine?
2-(3-bromophenyl)-3-(2,5-dimethylphenyl)propan-1-amine has a molecular weight of 318.26 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-(2,5-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 79442545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).