2-bromo-N-(2-methylpentan-3-yl)aniline

C12H18BrN — CID 43762620

IUPAC2-bromo-N-(2-methylpentan-3-yl)aniline
SMILESCCC(Nc1ccccc1Br)C(C)C
InChIInChI=1S/C12H18BrN/c1-4-11(9(2)3)14-12-8-6-5-7-10(12)13/h5-9,11,14H,4H2,1-3H3
InChIKeyNOYKQPQSIRDBDR-UHFFFAOYSA-N
MW256.19 g/mol
LogP4.30
Rot. Bonds4

About 2-bromo-N-(2-methylpentan-3-yl)aniline

2-bromo-N-(2-methylpentan-3-yl)aniline (PubChem CID 43762620) has the molecular formula C12H18BrN and a molecular weight of 256.19 g/mol. Its IUPAC name is 2-bromo-N-(2-methylpentan-3-yl)aniline.

Molecular Properties

Compound Name2-bromo-N-(2-methylpentan-3-yl)aniline
PubChem CID43762620
Molecular FormulaC12H18BrN
Molecular Weight256.19 g/mol
Exact Mass255.06
IUPAC Name2-bromo-N-(2-methylpentan-3-yl)aniline
SMILESCCC(Nc1ccccc1Br)C(C)C
InChIInChI=1S/C12H18BrN/c1-4-11(9(2)3)14-12-8-6-5-7-10(12)13/h5-9,11,14H,4H2,1-3H3
InChIKeyNOYKQPQSIRDBDR-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-butan-2-ylaniline
CID 43194515
4-bromo-N-(2-methylpentan-3-yl)naphthalen-1-amine
CID 113384458
2-N-(2-methylpentan-3-yl)benzene-1,2-diamine
CID 61469461
2-fluoro-N-[(3R)-2-methylpentan-3-yl]aniline
CID 93283017
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine
CID 81378481
2-bromo-N-[1-(2-bromophenyl)ethyl]aniline
CID 43103209
3-bromo-4-(2-methylpentan-3-ylamino)benzonitrile
CID 43786535
2-(difluoromethoxy)-N-(2-methylpentan-3-yl)aniline
CID 43766728
N-(2-methylpentan-3-yl)-2-pyrrolidin-1-ylaniline
CID 43781177
methyl 2-(2-methylpentan-3-ylamino)benzoate
CID 43774537
2-bromo-N-nonan-2-ylaniline
CID 43129843
3-fluoro-1-N-(2-methylpentan-3-yl)benzene-1,2-diamine
CID 61469418

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methylpentan-3-yl)aniline?
The IUPAC name of 2-bromo-N-(2-methylpentan-3-yl)aniline (CID 43762620) is 2-bromo-N-(2-methylpentan-3-yl)aniline.
What is the SMILES notation for 2-bromo-N-(2-methylpentan-3-yl)aniline?
The canonical SMILES for 2-bromo-N-(2-methylpentan-3-yl)aniline is CCC(Nc1ccccc1Br)C(C)C.
What is the InChIKey of 2-bromo-N-(2-methylpentan-3-yl)aniline?
The InChIKey is NOYKQPQSIRDBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN/c1-4-11(9(2)3)14-12-8-6-5-7-10(12)13/h5-9,11,14H,4H2,1-3H3.
What are the key properties of 2-bromo-N-(2-methylpentan-3-yl)aniline?
2-bromo-N-(2-methylpentan-3-yl)aniline has a molecular weight of 256.19 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methylpentan-3-yl)aniline is sourced from PubChem (CID 43762620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).