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

C16H18ClN — CID 15533800

IUPAC4-tert-butyl-N-(4-chlorophenyl)aniline
SMILESCC(C)(C)c1ccc(Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClN/c1-16(2,3)12-4-8-14(9-5-12)18-15-10-6-13(17)7-11-15/h4-11,18H,1-3H3
InChIKeyYFVMGXGYVJANMI-UHFFFAOYSA-N
MW259.78 g/mol
LogP5.38
Rot. Bonds2

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

4-tert-butyl-N-(4-chlorophenyl)aniline (PubChem CID 15533800) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-chlorophenyl)aniline.

Molecular Properties

Compound Name4-tert-butyl-N-(4-chlorophenyl)aniline
PubChem CID15533800
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name4-tert-butyl-N-(4-chlorophenyl)aniline
SMILESCC(C)(C)c1ccc(Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClN/c1-16(2,3)12-4-8-14(9-5-12)18-15-10-6-13(17)7-11-15/h4-11,18H,1-3H3
InChIKeyYFVMGXGYVJANMI-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.78
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 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

bis(1-tert-butyl-4-chlorobenzene);hydrate
CID 91871679
2-bromo-4-tert-butyl-N-(4-chlorophenyl)aniline
CID 170723804
2-(4-chlorophenyl)-N-methylpropan-2-amine
CID 21341108
4-[4,6-bis[4-(4-tert-butylanilino)phenyl]-1,3,5-triazin-2-yl]-N-(4-tert-butylphenyl)aniline
CID 163749792
N-(4-tert-butylphenyl)-2-(4-chloroanilino)pyrimidine-5-carboxamide
CID 109268262
N-[2-(4-tert-butylphenyl)sulfanylethyl]-4-chloroaniline
CID 63516291
4-N-(4-tert-butylphenyl)benzene-1,2,4-triamine
CID 106750291
1-tert-butyl-4-[chloro-(4-chlorophenyl)methyl]benzene
CID 63429016
1-chloro-4-(1,1-dichloroethyl)benzene
CID 12861387
4-N-(4-tert-butylphenyl)-2-methylbenzene-1,4-diamine
CID 43436257
1-[(4-tert-butylbenzoyl)amino]-3-(4-chlorophenyl)urea
CID 840661
1-N-(4-tert-butylphenyl)-4-chloro-5-fluorobenzene-1,2-diamine
CID 66077387

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-chlorophenyl)aniline?
The IUPAC name of 4-tert-butyl-N-(4-chlorophenyl)aniline (CID 15533800) is 4-tert-butyl-N-(4-chlorophenyl)aniline.
What is the SMILES notation for 4-tert-butyl-N-(4-chlorophenyl)aniline?
The canonical SMILES for 4-tert-butyl-N-(4-chlorophenyl)aniline is CC(C)(C)c1ccc(Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-chlorophenyl)aniline?
The InChIKey is YFVMGXGYVJANMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-16(2,3)12-4-8-14(9-5-12)18-15-10-6-13(17)7-11-15/h4-11,18H,1-3H3.
What are the key properties of 4-tert-butyl-N-(4-chlorophenyl)aniline?
4-tert-butyl-N-(4-chlorophenyl)aniline has a molecular weight of 259.78 g/mol, XLogP of 5.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-chlorophenyl)aniline is sourced from PubChem (CID 15533800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).