2-bromo-N-butan-2-ylaniline

C10H14BrN — CID 43194515

IUPAC2-bromo-N-butan-2-ylaniline
SMILESCCC(C)Nc1ccccc1Br
InChIInChI=1S/C10H14BrN/c1-3-8(2)12-10-7-5-4-6-9(10)11/h4-8,12H,3H2,1-2H3
InChIKeySCHOESNGNWRKJY-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.66
Rot. Bonds3

About 2-bromo-N-butan-2-ylaniline

2-bromo-N-butan-2-ylaniline (PubChem CID 43194515) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 2-bromo-N-butan-2-ylaniline.

Molecular Properties

Compound Name2-bromo-N-butan-2-ylaniline
PubChem CID43194515
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name2-bromo-N-butan-2-ylaniline
SMILESCCC(C)Nc1ccccc1Br
InChIInChI=1S/C10H14BrN/c1-3-8(2)12-10-7-5-4-6-9(10)11/h4-8,12H,3H2,1-2H3
InChIKeySCHOESNGNWRKJY-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(2-methylpentan-3-yl)aniline
CID 43762620
2-bromo-N-nonan-2-ylaniline
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2-bromo-N-[1-(4-bromophenyl)propan-2-yl]aniline
CID 114081198
2-bromo-N-(3-methoxybutan-2-yl)aniline
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3-(2-bromoanilino)-N'-hydroxybutanimidamide
CID 77026721
2-bromo-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 43762628
2-bromo-N-[1-(2-bromophenyl)ethyl]aniline
CID 43103209
2-(butan-2-ylamino)benzoic acid
CID 19609454
2-(butan-2-ylamino)benzonitrile
CID 43178639
3-bromo-4-[[(2S)-butan-2-yl]amino]benzonitrile
CID 93270606
2-bromo-N-[(1S)-1-phenylethyl]aniline;hydrochloride
CID 172882995
3-bromo-N-butan-2-ylpyridin-2-amine
CID 61374838

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-butan-2-ylaniline?
The IUPAC name of 2-bromo-N-butan-2-ylaniline (CID 43194515) is 2-bromo-N-butan-2-ylaniline.
What is the SMILES notation for 2-bromo-N-butan-2-ylaniline?
The canonical SMILES for 2-bromo-N-butan-2-ylaniline is CCC(C)Nc1ccccc1Br.
What is the InChIKey of 2-bromo-N-butan-2-ylaniline?
The InChIKey is SCHOESNGNWRKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-3-8(2)12-10-7-5-4-6-9(10)11/h4-8,12H,3H2,1-2H3.
What are the key properties of 2-bromo-N-butan-2-ylaniline?
2-bromo-N-butan-2-ylaniline has a molecular weight of 228.13 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-butan-2-ylaniline is sourced from PubChem (CID 43194515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).