2-iodo-N-(4-methylphenyl)-N-phenylaniline

C19H16IN — CID 139772467

IUPAC2-iodo-N-(4-methylphenyl)-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccccc2I)cc1
InChIInChI=1S/C19H16IN/c1-15-11-13-17(14-12-15)21(16-7-3-2-4-8-16)19-10-6-5-9-18(19)20/h2-14H,1H3
InChIKeyGGJPWUNHJGDJLP-UHFFFAOYSA-N
MW385.25 g/mol
LogP6.07
Rot. Bonds3

About 2-iodo-N-(4-methylphenyl)-N-phenylaniline

2-iodo-N-(4-methylphenyl)-N-phenylaniline (PubChem CID 139772467) has the molecular formula C19H16IN and a molecular weight of 385.25 g/mol. Its IUPAC name is 2-iodo-N-(4-methylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name2-iodo-N-(4-methylphenyl)-N-phenylaniline
PubChem CID139772467
Molecular FormulaC19H16IN
Molecular Weight385.25 g/mol
Exact Mass385.03
IUPAC Name2-iodo-N-(4-methylphenyl)-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccccc2I)cc1
InChIInChI=1S/C19H16IN/c1-15-11-13-17(14-12-15)21(16-7-3-2-4-8-16)19-10-6-5-9-18(19)20/h2-14H,1H3
InChIKeyGGJPWUNHJGDJLP-UHFFFAOYSA-N
XLogP6.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.25
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(4-methylphenyl)-N-phenylaniline
CID 138413970
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
N-(2-iodophenyl)-4,6-dimethyl-N-phenylpyrimidin-2-amine
CID 165179719
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
N-[4-(4-iodophenyl)phenyl]-4-methyl-N-phenylaniline
CID 174505698
2,3-diiodo-N,N-diphenylaniline
CID 66868227
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 59431689
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(4-methylphenyl)-N-phenylaniline?
The IUPAC name of 2-iodo-N-(4-methylphenyl)-N-phenylaniline (CID 139772467) is 2-iodo-N-(4-methylphenyl)-N-phenylaniline.
What is the SMILES notation for 2-iodo-N-(4-methylphenyl)-N-phenylaniline?
The canonical SMILES for 2-iodo-N-(4-methylphenyl)-N-phenylaniline is Cc1ccc(N(c2ccccc2)c2ccccc2I)cc1.
What is the InChIKey of 2-iodo-N-(4-methylphenyl)-N-phenylaniline?
The InChIKey is GGJPWUNHJGDJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16IN/c1-15-11-13-17(14-12-15)21(16-7-3-2-4-8-16)19-10-6-5-9-18(19)20/h2-14H,1H3.
What are the key properties of 2-iodo-N-(4-methylphenyl)-N-phenylaniline?
2-iodo-N-(4-methylphenyl)-N-phenylaniline has a molecular weight of 385.25 g/mol, XLogP of 6.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(4-methylphenyl)-N-phenylaniline is sourced from PubChem (CID 139772467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).