2-(3-bromo-5-methylphenyl)propan-2-amine

C10H14BrN — CID 83710324

IUPAC2-(3-bromo-5-methylphenyl)propan-2-amine
SMILESCc1cc(Br)cc(C(C)(C)N)c1
InChIInChI=1S/C10H14BrN/c1-7-4-8(10(2,3)12)6-9(11)5-7/h4-6H,12H2,1-3H3
InChIKeyADECANCKQRMXRY-UHFFFAOYSA-N
MW228.13 g/mol
LogP2.95
Rot. Bonds1

About 2-(3-bromo-5-methylphenyl)propan-2-amine

2-(3-bromo-5-methylphenyl)propan-2-amine (PubChem CID 83710324) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 2-(3-bromo-5-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(3-bromo-5-methylphenyl)propan-2-amine
PubChem CID83710324
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name2-(3-bromo-5-methylphenyl)propan-2-amine
SMILESCc1cc(Br)cc(C(C)(C)N)c1
InChIInChI=1S/C10H14BrN/c1-7-4-8(10(2,3)12)6-9(11)5-7/h4-6H,12H2,1-3H3
InChIKeyADECANCKQRMXRY-UHFFFAOYSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-amine
CID 117111932
1-bromo-3-(2-chloropropan-2-yl)-5-methylbenzene
CID 159521418
1-bromo-3-tert-butyl-5-methylbenzene;methoxymethane
CID 174322408
(2S)-2-amino-2-(3-bromo-5-methylphenyl)propanoic acid
CID 130618665
2-[3-bromo-5-(bromomethyl)phenyl]propan-2-amine
CID 143485456
1-(3-bromo-5-methylphenyl)-1-phenylethanol
CID 171366314
1-bromo-3,5-dimethylbenzene;methane;1,3,5-trimethylbenzene
CID 159079937
1-bromo-3,5-dimethylbenzene;ethane
CID 144646164
1-bromo-3-methyl-5-(trifluoromethyl)benzene;3-methyl-5-(trifluoromethyl)benzoic acid
CID 160510157
1-bromo-3-[difluoro(phenyl)methyl]-5-methylbenzene
CID 176801252
5-(2-aminopropan-2-yl)-2-bromo-3-methylphenol
CID 84802497
(3,5-dimethylphenyl)methanetriamine
CID 143122462

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-methylphenyl)propan-2-amine?
The IUPAC name of 2-(3-bromo-5-methylphenyl)propan-2-amine (CID 83710324) is 2-(3-bromo-5-methylphenyl)propan-2-amine.
What is the SMILES notation for 2-(3-bromo-5-methylphenyl)propan-2-amine?
The canonical SMILES for 2-(3-bromo-5-methylphenyl)propan-2-amine is Cc1cc(Br)cc(C(C)(C)N)c1.
What is the InChIKey of 2-(3-bromo-5-methylphenyl)propan-2-amine?
The InChIKey is ADECANCKQRMXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-7-4-8(10(2,3)12)6-9(11)5-7/h4-6H,12H2,1-3H3.
What are the key properties of 2-(3-bromo-5-methylphenyl)propan-2-amine?
2-(3-bromo-5-methylphenyl)propan-2-amine has a molecular weight of 228.13 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-methylphenyl)propan-2-amine is sourced from PubChem (CID 83710324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).