4-(4-chlorophenyl)-N,N-dimethylaniline

C14H14ClN — CID 2757476

IUPAC4-(4-chlorophenyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClN/c1-16(2)14-9-5-12(6-10-14)11-3-7-13(15)8-4-11/h3-10H,1-2H3
InChIKeyVSIMGMGRBSMTBE-UHFFFAOYSA-N
MW231.73 g/mol
LogP4.07
Rot. Bonds2

About 4-(4-chlorophenyl)-N,N-dimethylaniline

4-(4-chlorophenyl)-N,N-dimethylaniline (PubChem CID 2757476) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N,N-dimethylaniline
PubChem CID2757476
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name4-(4-chlorophenyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClN/c1-16(2)14-9-5-12(6-10-14)11-3-7-13(15)8-4-11/h3-10H,1-2H3
InChIKeyVSIMGMGRBSMTBE-UHFFFAOYSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
N-(4-chlorophenyl)-N-methyl-4-(4-methylphenyl)aniline
CID 23597856
4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline
CID 17226
4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline
CID 58923332
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;methylsulfinylmethane
CID 157316165
4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline
CID 58649433
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594
4-N-[4-(4-chlorophenyl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59025088
4-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-N,N-dimethylaniline
CID 9015378
4-[(3S)-5-(4-chlorophenyl)-2,3-dihydro-1H-1,2,4-triazol-3-yl]-N,N-dimethylaniline
CID 7039652
N-[4-[4-[N-(4-chlorophenyl)-4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino]phenyl]phenyl]-4-methyl-N-phenylaniline
CID 153085376
4-[4-(difluoromethyl)phenyl]-N,N-dimethylaniline
CID 132579488

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N,N-dimethylaniline?
The IUPAC name of 4-(4-chlorophenyl)-N,N-dimethylaniline (CID 2757476) is 4-(4-chlorophenyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(4-chlorophenyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(4-chlorophenyl)-N,N-dimethylaniline is CN(C)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N,N-dimethylaniline?
The InChIKey is VSIMGMGRBSMTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-16(2)14-9-5-12(6-10-14)11-3-7-13(15)8-4-11/h3-10H,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-N,N-dimethylaniline?
4-(4-chlorophenyl)-N,N-dimethylaniline has a molecular weight of 231.73 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N,N-dimethylaniline is sourced from PubChem (CID 2757476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).