N-[(3-bromophenyl)methyl]-N,2-dimethylbutan-1-amine

C13H20BrN — CID 55136782

IUPACN-[(3-bromophenyl)methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)Cc1cccc(Br)c1
InChIInChI=1S/C13H20BrN/c1-4-11(2)9-15(3)10-12-6-5-7-13(14)8-12/h5-8,11H,4,9-10H2,1-3H3
InChIKeyVRGGULWOERKNIE-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.93
Rot. Bonds5

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

N-[(3-bromophenyl)methyl]-N,2-dimethylbutan-1-amine (PubChem CID 55136782) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N,2-dimethylbutan-1-amine
PubChem CID55136782
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC NameN-[(3-bromophenyl)methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)Cc1cccc(Br)c1
InChIInChI=1S/C13H20BrN/c1-4-11(2)9-15(3)10-12-6-5-7-13(14)8-12/h5-8,11H,4,9-10H2,1-3H3
InChIKeyVRGGULWOERKNIE-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416066
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1-N-[(3-bromophenyl)methyl]-3-methoxy-1-N-methylpropane-1,2-diamine
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1-N-[(3-bromophenyl)methyl]-1-N-methyl-4-phenylbutane-1,2-diamine
CID 114929581
2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide
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N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylbutan-1-amine
CID 54971591
3-amino-4-[(3-bromophenyl)methyl-methylamino]butanoic acid
CID 115241775
3-[(3-bromophenyl)methyl-methylamino]-2-phenylpropanoic acid
CID 63072802
N-[(3-bromophenyl)methyl]-2-methylbutan-1-amine
CID 61400861
N'-[(3-bromophenyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 55009385
2-[(3-bromophenyl)methyl-methylamino]-1-naphthalen-2-ylethanol
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CID 62618729

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N,2-dimethylbutan-1-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-N,2-dimethylbutan-1-amine (CID 55136782) is N-[(3-bromophenyl)methyl]-N,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N,2-dimethylbutan-1-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N,2-dimethylbutan-1-amine is CCC(C)CN(C)Cc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N,2-dimethylbutan-1-amine?
The InChIKey is VRGGULWOERKNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c1-4-11(2)9-15(3)10-12-6-5-7-13(14)8-12/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N,2-dimethylbutan-1-amine?
N-[(3-bromophenyl)methyl]-N,2-dimethylbutan-1-amine has a molecular weight of 270.21 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 55136782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).