N-(4-chlorophenyl)-N-methyl-4-(4-methylphenyl)aniline

C20H18ClN — CID 23597856

IUPACN-(4-chlorophenyl)-N-methyl-4-(4-methylphenyl)aniline
SMILESCc1ccc(-c2ccc(N(C)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C20H18ClN/c1-15-3-5-16(6-4-15)17-7-11-19(12-8-17)22(2)20-13-9-18(21)10-14-20/h3-14H,1-2H3
InChIKeyKURPXIHATVNSSU-UHFFFAOYSA-N
MW307.82 g/mol
LogP6.08
Rot. Bonds3

About N-(4-chlorophenyl)-N-methyl-4-(4-methylphenyl)aniline

N-(4-chlorophenyl)-N-methyl-4-(4-methylphenyl)aniline (PubChem CID 23597856) has the molecular formula C20H18ClN and a molecular weight of 307.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-methyl-4-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-methyl-4-(4-methylphenyl)aniline
PubChem CID23597856
Molecular FormulaC20H18ClN
Molecular Weight307.82 g/mol
Exact Mass307.11
IUPAC NameN-(4-chlorophenyl)-N-methyl-4-(4-methylphenyl)aniline
SMILESCc1ccc(-c2ccc(N(C)c3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C20H18ClN/c1-15-3-5-16(6-4-15)17-7-11-19(12-8-17)22(2)20-13-9-18(21)10-14-20/h3-14H,1-2H3
InChIKeyKURPXIHATVNSSU-UHFFFAOYSA-N
XLogP6.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.82
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-methyl-4-(4-methylphenyl)aniline?
The IUPAC name of N-(4-chlorophenyl)-N-methyl-4-(4-methylphenyl)aniline (CID 23597856) is N-(4-chlorophenyl)-N-methyl-4-(4-methylphenyl)aniline.
What is the SMILES notation for N-(4-chlorophenyl)-N-methyl-4-(4-methylphenyl)aniline?
The canonical SMILES for N-(4-chlorophenyl)-N-methyl-4-(4-methylphenyl)aniline is Cc1ccc(-c2ccc(N(C)c3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-methyl-4-(4-methylphenyl)aniline?
The InChIKey is KURPXIHATVNSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN/c1-15-3-5-16(6-4-15)17-7-11-19(12-8-17)22(2)20-13-9-18(21)10-14-20/h3-14H,1-2H3.
What are the key properties of N-(4-chlorophenyl)-N-methyl-4-(4-methylphenyl)aniline?
N-(4-chlorophenyl)-N-methyl-4-(4-methylphenyl)aniline has a molecular weight of 307.82 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-methyl-4-(4-methylphenyl)aniline is sourced from PubChem (CID 23597856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).