2-bromo-4-chloro-N-(2-methylidenebutyl)aniline

C11H13BrClN — CID 81271581

IUPAC2-bromo-4-chloro-N-(2-methylidenebutyl)aniline
SMILESC=C(CC)CNc1ccc(Cl)cc1Br
InChIInChI=1S/C11H13BrClN/c1-3-8(2)7-14-11-5-4-9(13)6-10(11)12/h4-6,14H,2-3,7H2,1H3
InChIKeyGMPAOXJMXNBXHO-UHFFFAOYSA-N
MW274.59 g/mol
LogP4.48
Rot. Bonds4

About 2-bromo-4-chloro-N-(2-methylidenebutyl)aniline

2-bromo-4-chloro-N-(2-methylidenebutyl)aniline (PubChem CID 81271581) has the molecular formula C11H13BrClN and a molecular weight of 274.59 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(2-methylidenebutyl)aniline.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(2-methylidenebutyl)aniline
PubChem CID81271581
Molecular FormulaC11H13BrClN
Molecular Weight274.59 g/mol
Exact Mass272.99
IUPAC Name2-bromo-4-chloro-N-(2-methylidenebutyl)aniline
SMILESC=C(CC)CNc1ccc(Cl)cc1Br
InChIInChI=1S/C11H13BrClN/c1-3-8(2)7-14-11-5-4-9(13)6-10(11)12/h4-6,14H,2-3,7H2,1H3
InChIKeyGMPAOXJMXNBXHO-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.59
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-bromo-4-chloroanilino)acetate
CID 80978880
4-chloro-2-(2-methylidenebutylamino)benzonitrile
CID 66044755
2,3,4-trifluoro-N-(2-methylidenebutyl)aniline
CID 66045918
3-[(2-bromo-4-chloroanilino)methyl]pentan-3-ol
CID 114493426
2-(2-bromo-4-chloroanilino)-N'-hydroxyethanimidamide
CID 81270434
2-(2-bromo-4-chloroanilino)-N-cyclopentylacetamide
CID 81270445
2,4-difluoro-N-(2-methylidenebutyl)aniline
CID 66045919
2-bromo-4-chloro-N-prop-2-ynylaniline
CID 80979911
2-bromo-4-chloro-N-decylaniline
CID 81271334
2-bromo-4-chloro-N-octylaniline
CID 81263323
3-(2-bromo-4-chloroanilino)propan-1-ol
CID 80979319
1-(2-bromo-4-chloroanilino)-3-chloropropan-2-ol
CID 168640629

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(2-methylidenebutyl)aniline?
The IUPAC name of 2-bromo-4-chloro-N-(2-methylidenebutyl)aniline (CID 81271581) is 2-bromo-4-chloro-N-(2-methylidenebutyl)aniline.
What is the SMILES notation for 2-bromo-4-chloro-N-(2-methylidenebutyl)aniline?
The canonical SMILES for 2-bromo-4-chloro-N-(2-methylidenebutyl)aniline is C=C(CC)CNc1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(2-methylidenebutyl)aniline?
The InChIKey is GMPAOXJMXNBXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN/c1-3-8(2)7-14-11-5-4-9(13)6-10(11)12/h4-6,14H,2-3,7H2,1H3.
What are the key properties of 2-bromo-4-chloro-N-(2-methylidenebutyl)aniline?
2-bromo-4-chloro-N-(2-methylidenebutyl)aniline has a molecular weight of 274.59 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(2-methylidenebutyl)aniline is sourced from PubChem (CID 81271581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).