4-bromo-2-chloro-N-(3-methylbutan-2-yl)aniline

C11H15BrClN — CID 43168155

IUPAC4-bromo-2-chloro-N-(3-methylbutan-2-yl)aniline
SMILESCC(C)C(C)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C11H15BrClN/c1-7(2)8(3)14-11-5-4-9(12)6-10(11)13/h4-8,14H,1-3H3
InChIKeySINLSWBLFFLNPP-UHFFFAOYSA-N
MW276.61 g/mol
LogP4.56
Rot. Bonds3

About 4-bromo-2-chloro-N-(3-methylbutan-2-yl)aniline

4-bromo-2-chloro-N-(3-methylbutan-2-yl)aniline (PubChem CID 43168155) has the molecular formula C11H15BrClN and a molecular weight of 276.61 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(3-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(3-methylbutan-2-yl)aniline
PubChem CID43168155
Molecular FormulaC11H15BrClN
Molecular Weight276.61 g/mol
Exact Mass275.01
IUPAC Name4-bromo-2-chloro-N-(3-methylbutan-2-yl)aniline
SMILESCC(C)C(C)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C11H15BrClN/c1-7(2)8(3)14-11-5-4-9(12)6-10(11)13/h4-8,14H,1-3H3
InChIKeySINLSWBLFFLNPP-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.61
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-chloro-N-propan-2-ylaniline
CID 43236856
3-(4-bromo-2-chloroanilino)-2-methylbutanoic acid
CID 79392052
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321
2-chloro-4-iodo-N-(3-methylbutan-2-yl)aniline
CID 43733742
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43347291
3-chloro-4-(3-methylbutan-2-ylamino)benzonitrile
CID 55180669
4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43347271
4-[1-(4-bromo-2-chloroanilino)ethyl]phenol
CID 43347292
2-[1-(4-bromo-2-chloroanilino)ethyl]benzene-1,3-diol
CID 107710545
4-bromo-2-chloro-N-(1-phenylpropan-2-yl)aniline
CID 55200364
5-bromo-2-(3-methylbutan-2-ylamino)benzoic acid
CID 114895417
3-chloro-4-(3-methylbutan-2-ylamino)benzoic acid
CID 63088614

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(3-methylbutan-2-yl)aniline?
The IUPAC name of 4-bromo-2-chloro-N-(3-methylbutan-2-yl)aniline (CID 43168155) is 4-bromo-2-chloro-N-(3-methylbutan-2-yl)aniline.
What is the SMILES notation for 4-bromo-2-chloro-N-(3-methylbutan-2-yl)aniline?
The canonical SMILES for 4-bromo-2-chloro-N-(3-methylbutan-2-yl)aniline is CC(C)C(C)Nc1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(3-methylbutan-2-yl)aniline?
The InChIKey is SINLSWBLFFLNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN/c1-7(2)8(3)14-11-5-4-9(12)6-10(11)13/h4-8,14H,1-3H3.
What are the key properties of 4-bromo-2-chloro-N-(3-methylbutan-2-yl)aniline?
4-bromo-2-chloro-N-(3-methylbutan-2-yl)aniline has a molecular weight of 276.61 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(3-methylbutan-2-yl)aniline is sourced from PubChem (CID 43168155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).