3-(2-chloro-3-methylphenyl)-N,N-diphenylaniline

C25H20ClN — CID 167083588

IUPAC3-(2-chloro-3-methylphenyl)-N,N-diphenylaniline
SMILESCc1cccc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)c1Cl
InChIInChI=1S/C25H20ClN/c1-19-10-8-17-24(25(19)26)20-11-9-16-23(18-20)27(21-12-4-2-5-13-21)22-14-6-3-7-15-22/h2-18H,1H3
InChIKeyFBQDSCSCRRMREO-UHFFFAOYSA-N
MW369.90 g/mol
LogP7.79
Rot. Bonds4

About 3-(2-chloro-3-methylphenyl)-N,N-diphenylaniline

3-(2-chloro-3-methylphenyl)-N,N-diphenylaniline (PubChem CID 167083588) has the molecular formula C25H20ClN and a molecular weight of 369.90 g/mol. Its IUPAC name is 3-(2-chloro-3-methylphenyl)-N,N-diphenylaniline.

Molecular Properties

Compound Name3-(2-chloro-3-methylphenyl)-N,N-diphenylaniline
PubChem CID167083588
Molecular FormulaC25H20ClN
Molecular Weight369.90 g/mol
Exact Mass369.13
IUPAC Name3-(2-chloro-3-methylphenyl)-N,N-diphenylaniline
SMILESCc1cccc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)c1Cl
InChIInChI=1S/C25H20ClN/c1-19-10-8-17-24(25(19)26)20-11-9-16-23(18-20)27(21-12-4-2-5-13-21)22-14-6-3-7-15-22/h2-18H,1H3
InChIKeyFBQDSCSCRRMREO-UHFFFAOYSA-N
XLogP7.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.90
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline
CID 67071863
N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58729717
3-(2-phenylphenyl)-N,N-bis[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 146665629
2-chloro-1-methyl-3-(3-methylphenyl)benzene
CID 141199898
3-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(3-phenylphenyl)phenyl]phenyl]aniline;3-phenyl-N-(4-phenylphenyl)-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 161496261
3-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121386998
N-[4-[3-(2-methylphenyl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 146556750
[2-[3-(N-[3-(2-phenylphenyl)phenyl]anilino)phenyl]phenyl]boronic acid
CID 142725584
N-[3-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;1-methyl-3-(2-phenylphenyl)benzene
CID 144907562
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
N-[4-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenyltetraphenylen-2-amine
CID 137232562

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-methylphenyl)-N,N-diphenylaniline?
The IUPAC name of 3-(2-chloro-3-methylphenyl)-N,N-diphenylaniline (CID 167083588) is 3-(2-chloro-3-methylphenyl)-N,N-diphenylaniline.
What is the SMILES notation for 3-(2-chloro-3-methylphenyl)-N,N-diphenylaniline?
The canonical SMILES for 3-(2-chloro-3-methylphenyl)-N,N-diphenylaniline is Cc1cccc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)c1Cl.
What is the InChIKey of 3-(2-chloro-3-methylphenyl)-N,N-diphenylaniline?
The InChIKey is FBQDSCSCRRMREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN/c1-19-10-8-17-24(25(19)26)20-11-9-16-23(18-20)27(21-12-4-2-5-13-21)22-14-6-3-7-15-22/h2-18H,1H3.
What are the key properties of 3-(2-chloro-3-methylphenyl)-N,N-diphenylaniline?
3-(2-chloro-3-methylphenyl)-N,N-diphenylaniline has a molecular weight of 369.90 g/mol, XLogP of 7.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-methylphenyl)-N,N-diphenylaniline is sourced from PubChem (CID 167083588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).