2-(2-bromo-4,6-dimethylphenyl)propan-2-amine

C11H16BrN — CID 84801577

IUPAC2-(2-bromo-4,6-dimethylphenyl)propan-2-amine
SMILESCc1cc(C)c(C(C)(C)N)c(Br)c1
InChIInChI=1S/C11H16BrN/c1-7-5-8(2)10(9(12)6-7)11(3,4)13/h5-6H,13H2,1-4H3
InChIKeyIBWPOHFKASNUIY-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.26
Rot. Bonds1

About 2-(2-bromo-4,6-dimethylphenyl)propan-2-amine

2-(2-bromo-4,6-dimethylphenyl)propan-2-amine (PubChem CID 84801577) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 2-(2-bromo-4,6-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2-bromo-4,6-dimethylphenyl)propan-2-amine
PubChem CID84801577
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name2-(2-bromo-4,6-dimethylphenyl)propan-2-amine
SMILESCc1cc(C)c(C(C)(C)N)c(Br)c1
InChIInChI=1S/C11H16BrN/c1-7-5-8(2)10(9(12)6-7)11(3,4)13/h5-6H,13H2,1-4H3
InChIKeyIBWPOHFKASNUIY-UHFFFAOYSA-N
XLogP3.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-difluoro-2-methyl-1-(2,4,6-trimethylphenyl)propan-2-amine
CID 116839389
1-bromo-5-methyl-2,3-bis(trifluoromethyl)benzene
CID 135743181
(2S)-2-amino-2-(2,4,6-trimethylphenyl)propanenitrile
CID 30115564
2-(3-bromo-5-methylphenyl)propan-2-amine
CID 83710324
2-(4-methoxy-2,6-dimethylphenyl)propan-2-amine
CID 82048609
2-bromo-4,6-dimethylbenzenethiol
CID 50998034
bis[2-(2,4,6-trimethylphenyl)propan-2-yl]diazene
CID 10247336
2-(3-bromo-5,7-dimethyl-1H-indol-2-yl)propan-2-amine
CID 84642841
1,2-ditert-butyl-3,5-dimethylbenzene
CID 159753674
2-methyl-1-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propane-1,2-diamine
CID 115136351
2-[(2-bromo-4,6-dimethylphenyl)methyl]oxirane
CID 170961451
2-bromo-N-[(4-bromothiophen-3-yl)methyl]-4,6-dimethylaniline
CID 112739667

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-dimethylphenyl)propan-2-amine?
The IUPAC name of 2-(2-bromo-4,6-dimethylphenyl)propan-2-amine (CID 84801577) is 2-(2-bromo-4,6-dimethylphenyl)propan-2-amine.
What is the SMILES notation for 2-(2-bromo-4,6-dimethylphenyl)propan-2-amine?
The canonical SMILES for 2-(2-bromo-4,6-dimethylphenyl)propan-2-amine is Cc1cc(C)c(C(C)(C)N)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4,6-dimethylphenyl)propan-2-amine?
The InChIKey is IBWPOHFKASNUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-7-5-8(2)10(9(12)6-7)11(3,4)13/h5-6H,13H2,1-4H3.
What are the key properties of 2-(2-bromo-4,6-dimethylphenyl)propan-2-amine?
2-(2-bromo-4,6-dimethylphenyl)propan-2-amine has a molecular weight of 242.16 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-dimethylphenyl)propan-2-amine is sourced from PubChem (CID 84801577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).