2-(3-bromophenyl)-N,2-dimethylbutan-1-amine

C12H18BrN — CID 83655766

IUPAC2-(3-bromophenyl)-N,2-dimethylbutan-1-amine
SMILESCCC(C)(CNC)c1cccc(Br)c1
InChIInChI=1S/C12H18BrN/c1-4-12(2,9-14-3)10-6-5-7-11(13)8-10/h5-8,14H,4,9H2,1-3H3
InChIKeyGIBQOUQNJIJEJN-UHFFFAOYSA-N
MW256.19 g/mol
LogP3.34
Rot. Bonds4

About 2-(3-bromophenyl)-N,2-dimethylbutan-1-amine

2-(3-bromophenyl)-N,2-dimethylbutan-1-amine (PubChem CID 83655766) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-N,2-dimethylbutan-1-amine
PubChem CID83655766
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC Name2-(3-bromophenyl)-N,2-dimethylbutan-1-amine
SMILESCCC(C)(CNC)c1cccc(Br)c1
InChIInChI=1S/C12H18BrN/c1-4-12(2,9-14-3)10-6-5-7-11(13)8-10/h5-8,14H,4,9H2,1-3H3
InChIKeyGIBQOUQNJIJEJN-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-(3-methylnonan-3-yl)benzene
CID 134535746
1-bromo-3-(2-chlorobutan-2-yl)benzene
CID 171061964
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CID 115263709
3-(3-bromophenyl)pentan-3-ol
CID 57443482
2-(3-bromophenyl)-1-(ethylamino)propan-2-ol
CID 62773970
2-(3-bromophenyl)propan-2-ol;ethanol
CID 144557078
1-amino-1-(3-bromophenyl)propan-1-ol
CID 141222959
2-N-(3-bromophenyl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115132623
butyl N-[2-(3-bromophenyl)-1-(methylamino)propan-2-yl]carbamate
CID 69045163
1-amino-3-[2-(3-bromophenyl)-2-methylpropyl]urea
CID 115193202
2-[(3-bromophenyl)methoxy]-N,2-dimethylpropan-1-amine
CID 82832000
(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
CID 66931490

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 2-(3-bromophenyl)-N,2-dimethylbutan-1-amine (CID 83655766) is 2-(3-bromophenyl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-N,2-dimethylbutan-1-amine is CCC(C)(CNC)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N,2-dimethylbutan-1-amine?
The InChIKey is GIBQOUQNJIJEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-4-12(2,9-14-3)10-6-5-7-11(13)8-10/h5-8,14H,4,9H2,1-3H3.
What are the key properties of 2-(3-bromophenyl)-N,2-dimethylbutan-1-amine?
2-(3-bromophenyl)-N,2-dimethylbutan-1-amine has a molecular weight of 256.19 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 83655766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).