N-(4-chlorophenyl)-2-propan-2-ylaniline

C15H16ClN — CID 82536589

IUPACN-(4-chlorophenyl)-2-propan-2-ylaniline
SMILESCC(C)c1ccccc1Nc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN/c1-11(2)14-5-3-4-6-15(14)17-13-9-7-12(16)8-10-13/h3-11,17H,1-2H3
InChIKeyGJIDCGSZFUJKOA-UHFFFAOYSA-N
MW245.75 g/mol
LogP5.21
Rot. Bonds3

About N-(4-chlorophenyl)-2-propan-2-ylaniline

N-(4-chlorophenyl)-2-propan-2-ylaniline (PubChem CID 82536589) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-propan-2-ylaniline.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-propan-2-ylaniline
PubChem CID82536589
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC NameN-(4-chlorophenyl)-2-propan-2-ylaniline
SMILESCC(C)c1ccccc1Nc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN/c1-11(2)14-5-3-4-6-15(14)17-13-9-7-12(16)8-10-13/h3-11,17H,1-2H3
InChIKeyGJIDCGSZFUJKOA-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.75
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine
CID 141333643
3,4-difluoro-N-(2-propan-2-ylphenyl)aniline
CID 82536586
N-(4-chlorophenyl)-N'-(2-propan-2-ylphenyl)ethane-1,2-diamine
CID 54805498
1-N,2-N-bis(4-chlorophenyl)benzene-1,2-diamine
CID 22968513
3-N-(4-chlorophenyl)-5-N-(2-propan-2-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964617
5-chloro-2-(2-propan-2-ylanilino)benzonitrile
CID 63512062
4-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017755
2-fluoro-N-(4-propan-2-ylphenyl)aniline
CID 155290026
3-N-(2-propan-2-ylphenyl)benzene-1,3-diamine
CID 43132792
N-(2-fluorophenyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109198647
2-(4-chlorophenoxy)-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]acetamide
CID 113017751
N-phenyl-2-(1-phenylethyl)aniline
CID 59839557

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-propan-2-ylaniline?
The IUPAC name of N-(4-chlorophenyl)-2-propan-2-ylaniline (CID 82536589) is N-(4-chlorophenyl)-2-propan-2-ylaniline.
What is the SMILES notation for N-(4-chlorophenyl)-2-propan-2-ylaniline?
The canonical SMILES for N-(4-chlorophenyl)-2-propan-2-ylaniline is CC(C)c1ccccc1Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-propan-2-ylaniline?
The InChIKey is GJIDCGSZFUJKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-11(2)14-5-3-4-6-15(14)17-13-9-7-12(16)8-10-13/h3-11,17H,1-2H3.
What are the key properties of N-(4-chlorophenyl)-2-propan-2-ylaniline?
N-(4-chlorophenyl)-2-propan-2-ylaniline has a molecular weight of 245.75 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-propan-2-ylaniline is sourced from PubChem (CID 82536589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).