N-[4-(4-chlorophenyl)phenyl]-3-methylaniline

C19H16ClN — CID 16755340

IUPACN-[4-(4-chlorophenyl)phenyl]-3-methylaniline
SMILESCc1cccc(Nc2ccc(-c3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C19H16ClN/c1-14-3-2-4-19(13-14)21-18-11-7-16(8-12-18)15-5-9-17(20)10-6-15/h2-13,21H,1H3
InChIKeyYELPQZCQJZRISP-UHFFFAOYSA-N
MW293.80 g/mol
LogP6.06
Rot. Bonds3

About N-[4-(4-chlorophenyl)phenyl]-3-methylaniline

N-[4-(4-chlorophenyl)phenyl]-3-methylaniline (PubChem CID 16755340) has the molecular formula C19H16ClN and a molecular weight of 293.80 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)phenyl]-3-methylaniline.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)phenyl]-3-methylaniline
PubChem CID16755340
Molecular FormulaC19H16ClN
Molecular Weight293.80 g/mol
Exact Mass293.10
IUPAC NameN-[4-(4-chlorophenyl)phenyl]-3-methylaniline
SMILESCc1cccc(Nc2ccc(-c3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C19H16ClN/c1-14-3-2-4-19(13-14)21-18-11-7-16(8-12-18)15-5-9-17(20)10-6-15/h2-13,21H,1H3
InChIKeyYELPQZCQJZRISP-UHFFFAOYSA-N
XLogP6.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.80
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(4-anilinophenyl)phenyl]-3-methylaniline
CID 90221896
1,1'-biphenyl;3-methyl-N-phenylaniline
CID 19838437
4-N-(4-chlorophenyl)-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 71095075
6-N-(4-chlorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148236
4-N-(3-methylphenyl)benzene-1,4-diamine
CID 4764078
4-(4-chlorophenyl)-3-methyl-N-phenylaniline
CID 156563993
3-methyl-N-[4-[6-methyl-5-[2-methyl-6-[4-(3-methylanilino)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]aniline
CID 90743149
3-(4-chloroanilino)phenol
CID 22350263
4-chloro-1-N-(3-methylphenyl)benzene-1,2-diamine
CID 29067463
butane;1-chloro-4-(3-methylphenyl)benzene
CID 143529938
N-[(4-chlorophenyl)methyl]-3-methylaniline
CID 15533172
N-[4-(4-anilinophenyl)phenyl]-3-methyl-N-phenylaniline
CID 11235664

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)phenyl]-3-methylaniline?
The IUPAC name of N-[4-(4-chlorophenyl)phenyl]-3-methylaniline (CID 16755340) is N-[4-(4-chlorophenyl)phenyl]-3-methylaniline.
What is the SMILES notation for N-[4-(4-chlorophenyl)phenyl]-3-methylaniline?
The canonical SMILES for N-[4-(4-chlorophenyl)phenyl]-3-methylaniline is Cc1cccc(Nc2ccc(-c3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of N-[4-(4-chlorophenyl)phenyl]-3-methylaniline?
The InChIKey is YELPQZCQJZRISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN/c1-14-3-2-4-19(13-14)21-18-11-7-16(8-12-18)15-5-9-17(20)10-6-15/h2-13,21H,1H3.
What are the key properties of N-[4-(4-chlorophenyl)phenyl]-3-methylaniline?
N-[4-(4-chlorophenyl)phenyl]-3-methylaniline has a molecular weight of 293.80 g/mol, XLogP of 6.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)phenyl]-3-methylaniline is sourced from PubChem (CID 16755340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).