3-(2-bromophenyl)-N-methylbutan-1-amine

C11H16BrN — CID 83693034

IUPAC3-(2-bromophenyl)-N-methylbutan-1-amine
SMILESCNCCC(C)c1ccccc1Br
InChIInChI=1S/C11H16BrN/c1-9(7-8-13-2)10-5-3-4-6-11(10)12/h3-6,9,13H,7-8H2,1-2H3
InChIKeyBCUWKDIOTHOHRU-UHFFFAOYSA-N
MW242.16 g/mol
LogP3.16
Rot. Bonds4

About 3-(2-bromophenyl)-N-methylbutan-1-amine

3-(2-bromophenyl)-N-methylbutan-1-amine (PubChem CID 83693034) has the molecular formula C11H16BrN and a molecular weight of 242.16 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-methylbutan-1-amine
PubChem CID83693034
Molecular FormulaC11H16BrN
Molecular Weight242.16 g/mol
Exact Mass241.05
IUPAC Name3-(2-bromophenyl)-N-methylbutan-1-amine
SMILESCNCCC(C)c1ccccc1Br
InChIInChI=1S/C11H16BrN/c1-9(7-8-13-2)10-5-3-4-6-11(10)12/h3-6,9,13H,7-8H2,1-2H3
InChIKeyBCUWKDIOTHOHRU-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[2-(2-bromophenyl)propyl]-2-methylpropan-1-amine
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3-(4-bromo-3-chloro-2-fluorophenyl)-N-methylbutan-1-amine
CID 106763811
(1S)-1-(2-bromophenyl)-N-methylethanamine
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3-(3-bromo-2-fluorophenyl)-N-propan-2-ylbutan-1-amine
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N-[1-(2-bromophenyl)ethyl]-7-methyloctan-1-amine
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1-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine
CID 116948009
N-methyl-3-phenyl-3-(2-propan-2-ylphenyl)sulfanylpropan-1-amine
CID 139613449
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2-(2-bromophenyl)propane-1-sulfonamide
CID 90319364

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-methylbutan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-N-methylbutan-1-amine (CID 83693034) is 3-(2-bromophenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-N-methylbutan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-N-methylbutan-1-amine is CNCCC(C)c1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-N-methylbutan-1-amine?
The InChIKey is BCUWKDIOTHOHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN/c1-9(7-8-13-2)10-5-3-4-6-11(10)12/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 3-(2-bromophenyl)-N-methylbutan-1-amine?
3-(2-bromophenyl)-N-methylbutan-1-amine has a molecular weight of 242.16 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 83693034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).