2-bromo-4-tert-butyl-N-(4-chlorophenyl)aniline

C16H17BrClN — CID 170723804

IUPAC2-bromo-4-tert-butyl-N-(4-chlorophenyl)aniline
SMILESCC(C)(C)c1ccc(Nc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C16H17BrClN/c1-16(2,3)11-4-9-15(14(17)10-11)19-13-7-5-12(18)6-8-13/h4-10,19H,1-3H3
InChIKeyKCWBRWRYIGTBJS-UHFFFAOYSA-N
MW338.68 g/mol
LogP6.14
Rot. Bonds2

About 2-bromo-4-tert-butyl-N-(4-chlorophenyl)aniline

2-bromo-4-tert-butyl-N-(4-chlorophenyl)aniline (PubChem CID 170723804) has the molecular formula C16H17BrClN and a molecular weight of 338.68 g/mol. Its IUPAC name is 2-bromo-4-tert-butyl-N-(4-chlorophenyl)aniline.

Molecular Properties

Compound Name2-bromo-4-tert-butyl-N-(4-chlorophenyl)aniline
PubChem CID170723804
Molecular FormulaC16H17BrClN
Molecular Weight338.68 g/mol
Exact Mass337.02
IUPAC Name2-bromo-4-tert-butyl-N-(4-chlorophenyl)aniline
SMILESCC(C)(C)c1ccc(Nc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C16H17BrClN/c1-16(2,3)11-4-9-15(14(17)10-11)19-13-7-5-12(18)6-8-13/h4-10,19H,1-3H3
InChIKeyKCWBRWRYIGTBJS-UHFFFAOYSA-N
XLogP6.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.68
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-bromo-4-tert-butyl-N-(4-chlorophenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-N-(4-chlorophenyl)aniline
CID 15533800
2-bromo-4-tert-butyl-N-(3-fluorophenyl)aniline
CID 177279159
2-bromo-N-(4-chlorophenyl)-4-methylsulfonylaniline
CID 118863483
2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol
CID 62913164
N-(2-bromo-4-tert-butylphenyl)-2-chlorobenzamide
CID 53268072
bis(1-tert-butyl-4-chlorobenzene);hydrate
CID 91871679
1-N-(4-tert-butylphenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 66077387
1-N-(4-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067195
1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine
CID 22968513
N-(2-bromo-4-tert-butylphenyl)-3-chloropropanamide
CID 53268048
1-N,3-N-bis(4-tert-butylphenyl)-2-chloro-5-phenylbenzene-1,3-diamine
CID 155425008
5-bromo-2-(4-tert-butylanilino)benzenecarbothioamide
CID 114891166

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-tert-butyl-N-(4-chlorophenyl)aniline?
The IUPAC name of 2-bromo-4-tert-butyl-N-(4-chlorophenyl)aniline (CID 170723804) is 2-bromo-4-tert-butyl-N-(4-chlorophenyl)aniline.
What is the SMILES notation for 2-bromo-4-tert-butyl-N-(4-chlorophenyl)aniline?
The canonical SMILES for 2-bromo-4-tert-butyl-N-(4-chlorophenyl)aniline is CC(C)(C)c1ccc(Nc2ccc(Cl)cc2)c(Br)c1.
What is the InChIKey of 2-bromo-4-tert-butyl-N-(4-chlorophenyl)aniline?
The InChIKey is KCWBRWRYIGTBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN/c1-16(2,3)11-4-9-15(14(17)10-11)19-13-7-5-12(18)6-8-13/h4-10,19H,1-3H3.
What are the key properties of 2-bromo-4-tert-butyl-N-(4-chlorophenyl)aniline?
2-bromo-4-tert-butyl-N-(4-chlorophenyl)aniline has a molecular weight of 338.68 g/mol, XLogP of 6.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-tert-butyl-N-(4-chlorophenyl)aniline is sourced from PubChem (CID 170723804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).