1,1'-biphenyl;3-methyl-N-phenylaniline

C25H23N — CID 19838437

IUPAC1,1'-biphenyl;3-methyl-N-phenylaniline
SMILESCc1cccc(Nc2ccccc2)c1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H13N.C12H10/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h2-10,14H,1H3;1-10H
InChIKeyWTCRSTXCHUSGAA-UHFFFAOYSA-N
MW337.47 g/mol
LogP7.09
Rot. Bonds3

About 1,1'-biphenyl;3-methyl-N-phenylaniline

1,1'-biphenyl;3-methyl-N-phenylaniline (PubChem CID 19838437) has the molecular formula C25H23N and a molecular weight of 337.47 g/mol. Its IUPAC name is 1,1'-biphenyl;3-methyl-N-phenylaniline.

Molecular Properties

Compound Name1,1'-biphenyl;3-methyl-N-phenylaniline
PubChem CID19838437
Molecular FormulaC25H23N
Molecular Weight337.47 g/mol
Exact Mass337.18
IUPAC Name1,1'-biphenyl;3-methyl-N-phenylaniline
SMILESCc1cccc(Nc2ccccc2)c1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H13N.C12H10/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h2-10,14H,1H3;1-10H
InChIKeyWTCRSTXCHUSGAA-UHFFFAOYSA-N
XLogP7.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(4-anilinophenyl)phenyl]-3-methylaniline
CID 90221896
N-[4-(4-chlorophenyl)phenyl]-3-methylaniline
CID 16755340
N-phenyl-3-(4-phenylphenyl)aniline
CID 58389913
4-N-(3-methylphenyl)benzene-1,4-diamine
CID 4764078
4-(4-anilinophenyl)-2-(3-methylphenyl)-N-phenylaniline
CID 67215708
1-N-(3-methylphenyl)-4-N-[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 142252530
3-[3-(3-methylanilino)phenyl]-N-(3-methylphenyl)-2,6-diphenylaniline
CID 70136715
2-methyl-4-N-(3-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876864
N-[4-(4-anilinophenyl)phenyl]-3-methyl-N-phenylaniline
CID 11235664
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
ethane;1-methyl-3-phenylbenzene
CID 142040878
1-(cyclodecapentaenyl)-5-methylcyclodeca-1,3,5,7,9-pentaene
CID 123859615

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;3-methyl-N-phenylaniline?
The IUPAC name of 1,1'-biphenyl;3-methyl-N-phenylaniline (CID 19838437) is 1,1'-biphenyl;3-methyl-N-phenylaniline.
What is the SMILES notation for 1,1'-biphenyl;3-methyl-N-phenylaniline?
The canonical SMILES for 1,1'-biphenyl;3-methyl-N-phenylaniline is Cc1cccc(Nc2ccccc2)c1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;3-methyl-N-phenylaniline?
The InChIKey is WTCRSTXCHUSGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.C12H10/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h2-10,14H,1H3;1-10H.
What are the key properties of 1,1'-biphenyl;3-methyl-N-phenylaniline?
1,1'-biphenyl;3-methyl-N-phenylaniline has a molecular weight of 337.47 g/mol, XLogP of 7.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;3-methyl-N-phenylaniline is sourced from PubChem (CID 19838437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).