2-bromo-5-chloro-4-methyl-N-(5-methylheptan-3-yl)aniline

C15H23BrClN — CID 104722479

IUPAC2-bromo-5-chloro-4-methyl-N-(5-methylheptan-3-yl)aniline
SMILESCCC(C)CC(CC)Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C15H23BrClN/c1-5-10(3)7-12(6-2)18-15-9-14(17)11(4)8-13(15)16/h8-10,12,18H,5-7H2,1-4H3
InChIKeyPYCACQMBLLBARM-UHFFFAOYSA-N
MW332.71 g/mol
LogP6.04
Rot. Bonds6

About 2-bromo-5-chloro-4-methyl-N-(5-methylheptan-3-yl)aniline

2-bromo-5-chloro-4-methyl-N-(5-methylheptan-3-yl)aniline (PubChem CID 104722479) has the molecular formula C15H23BrClN and a molecular weight of 332.71 g/mol. Its IUPAC name is 2-bromo-5-chloro-4-methyl-N-(5-methylheptan-3-yl)aniline.

Molecular Properties

Compound Name2-bromo-5-chloro-4-methyl-N-(5-methylheptan-3-yl)aniline
PubChem CID104722479
Molecular FormulaC15H23BrClN
Molecular Weight332.71 g/mol
Exact Mass331.07
IUPAC Name2-bromo-5-chloro-4-methyl-N-(5-methylheptan-3-yl)aniline
SMILESCCC(C)CC(CC)Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C15H23BrClN/c1-5-10(3)7-12(6-2)18-15-9-14(17)11(4)8-13(15)16/h8-10,12,18H,5-7H2,1-4H3
InChIKeyPYCACQMBLLBARM-UHFFFAOYSA-N
XLogP6.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.71
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-butan-2-yl-5-chloro-4-methylaniline
CID 104722467
2-(2-bromo-5-chloro-4-methylanilino)butanenitrile
CID 104723532
2,6-dibromo-4-methyl-N-(5-methylheptan-3-yl)aniline
CID 55199601
2-chloro-N-(5-methylheptan-3-yl)aniline
CID 43095365
4-bromo-2,6-dimethyl-N-(5-methylheptan-3-yl)aniline
CID 55191771
3-bromo-5-chloro-2-(difluoromethoxy)-N-(5-methylheptan-3-yl)aniline
CID 63432835
methyl 2-(2-bromo-5-chloro-4-methylanilino)butanoate
CID 113445425
2,4,6-tribromo-N-(5-methylheptan-3-yl)aniline
CID 55197881
2-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-4-methylaniline
CID 104722475
2-bromo-5-chloro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline
CID 104722764
2-bromo-5-chloro-4-methyl-N-(3-methylbutyl)aniline
CID 104722862
3-(2-bromo-5-chloro-4-methylanilino)-N'-hydroxybutanimidamide
CID 104724441

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-4-methyl-N-(5-methylheptan-3-yl)aniline?
The IUPAC name of 2-bromo-5-chloro-4-methyl-N-(5-methylheptan-3-yl)aniline (CID 104722479) is 2-bromo-5-chloro-4-methyl-N-(5-methylheptan-3-yl)aniline.
What is the SMILES notation for 2-bromo-5-chloro-4-methyl-N-(5-methylheptan-3-yl)aniline?
The canonical SMILES for 2-bromo-5-chloro-4-methyl-N-(5-methylheptan-3-yl)aniline is CCC(C)CC(CC)Nc1cc(Cl)c(C)cc1Br.
What is the InChIKey of 2-bromo-5-chloro-4-methyl-N-(5-methylheptan-3-yl)aniline?
The InChIKey is PYCACQMBLLBARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrClN/c1-5-10(3)7-12(6-2)18-15-9-14(17)11(4)8-13(15)16/h8-10,12,18H,5-7H2,1-4H3.
What are the key properties of 2-bromo-5-chloro-4-methyl-N-(5-methylheptan-3-yl)aniline?
2-bromo-5-chloro-4-methyl-N-(5-methylheptan-3-yl)aniline has a molecular weight of 332.71 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-4-methyl-N-(5-methylheptan-3-yl)aniline is sourced from PubChem (CID 104722479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).