2-(2-bromophenyl)butan-2-amine

C10H14BrN — CID 43810195

IUPAC2-(2-bromophenyl)butan-2-amine
SMILESCCC(C)(N)c1ccccc1Br
InChIInChI=1S/C10H14BrN/c1-3-10(2,12)8-6-4-5-7-9(8)11/h4-7H,3,12H2,1-2H3
InChIKeyQCHKFCCTSVHWCL-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.03
Rot. Bonds2

About 2-(2-bromophenyl)butan-2-amine

2-(2-bromophenyl)butan-2-amine (PubChem CID 43810195) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 2-(2-bromophenyl)butan-2-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)butan-2-amine
PubChem CID43810195
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name2-(2-bromophenyl)butan-2-amine
SMILESCCC(C)(N)c1ccccc1Br
InChIInChI=1S/C10H14BrN/c1-3-10(2,12)8-6-4-5-7-9(8)11/h4-7H,3,12H2,1-2H3
InChIKeyQCHKFCCTSVHWCL-UHFFFAOYSA-N
XLogP3.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Cumylamine
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1-(2-Bromophenyl)methanamine hydrochloride
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2-(4-Bromophenyl)propan-2-amine
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Phenethylamine, o-bromo-alpha,alpha-dimethyl-, hydrochloride
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(S)-1-(3-bromophenyl)ethanamine
CID 9952938
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(alphaS)-4-Bromo-alpha-methylbenzenemethanamine
CID 852999

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)butan-2-amine?
The IUPAC name of 2-(2-bromophenyl)butan-2-amine (CID 43810195) is 2-(2-bromophenyl)butan-2-amine.
What is the SMILES notation for 2-(2-bromophenyl)butan-2-amine?
The canonical SMILES for 2-(2-bromophenyl)butan-2-amine is CCC(C)(N)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)butan-2-amine?
The InChIKey is QCHKFCCTSVHWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-3-10(2,12)8-6-4-5-7-9(8)11/h4-7H,3,12H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)butan-2-amine?
2-(2-bromophenyl)butan-2-amine has a molecular weight of 228.13 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)butan-2-amine is sourced from PubChem (CID 43810195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).