2-(2-bromophenyl)-3-methylpentan-2-amine

C12H18BrN — CID 79444116

IUPAC2-(2-bromophenyl)-3-methylpentan-2-amine
SMILESCCC(C)C(C)(N)c1ccccc1Br
InChIInChI=1S/C12H18BrN/c1-4-9(2)12(3,14)10-7-5-6-8-11(10)13/h5-9H,4,14H2,1-3H3
InChIKeyVZRGOTTVBKDKBJ-UHFFFAOYSA-N
MW256.19 g/mol
LogP3.67
Rot. Bonds3

About 2-(2-bromophenyl)-3-methylpentan-2-amine

2-(2-bromophenyl)-3-methylpentan-2-amine (PubChem CID 79444116) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-methylpentan-2-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-methylpentan-2-amine
PubChem CID79444116
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC Name2-(2-bromophenyl)-3-methylpentan-2-amine
SMILESCCC(C)C(C)(N)c1ccccc1Br
InChIInChI=1S/C12H18BrN/c1-4-9(2)12(3,14)10-7-5-6-8-11(10)13/h5-9H,4,14H2,1-3H3
InChIKeyVZRGOTTVBKDKBJ-UHFFFAOYSA-N
XLogP3.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1,2-bis(2-bromophenyl)propan-2-amine
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(2S)-2-(2-bromophenyl)but-3-en-2-amine
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1-bromo-2-(1,1-difluoropropyl)benzene
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1-(2-bromophenyl)-1-(2-fluorophenyl)ethanamine
CID 62500949
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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-methylpentan-2-amine?
The IUPAC name of 2-(2-bromophenyl)-3-methylpentan-2-amine (CID 79444116) is 2-(2-bromophenyl)-3-methylpentan-2-amine.
What is the SMILES notation for 2-(2-bromophenyl)-3-methylpentan-2-amine?
The canonical SMILES for 2-(2-bromophenyl)-3-methylpentan-2-amine is CCC(C)C(C)(N)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-3-methylpentan-2-amine?
The InChIKey is VZRGOTTVBKDKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-4-9(2)12(3,14)10-7-5-6-8-11(10)13/h5-9H,4,14H2,1-3H3.
What are the key properties of 2-(2-bromophenyl)-3-methylpentan-2-amine?
2-(2-bromophenyl)-3-methylpentan-2-amine has a molecular weight of 256.19 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-methylpentan-2-amine is sourced from PubChem (CID 79444116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).