N-[4-(4-iodophenyl)phenyl]-3,4-dimethylaniline

C20H18IN — CID 10476038

IUPACN-[4-(4-iodophenyl)phenyl]-3,4-dimethylaniline
SMILESCc1ccc(Nc2ccc(-c3ccc(I)cc3)cc2)cc1C
InChIInChI=1S/C20H18IN/c1-14-3-10-20(13-15(14)2)22-19-11-6-17(7-12-19)16-4-8-18(21)9-5-16/h3-13,22H,1-2H3
InChIKeyYRUARZNTTGBNOV-UHFFFAOYSA-N
MW399.28 g/mol
LogP6.32
Rot. Bonds3

About N-[4-(4-iodophenyl)phenyl]-3,4-dimethylaniline

N-[4-(4-iodophenyl)phenyl]-3,4-dimethylaniline (PubChem CID 10476038) has the molecular formula C20H18IN and a molecular weight of 399.28 g/mol. Its IUPAC name is N-[4-(4-iodophenyl)phenyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[4-(4-iodophenyl)phenyl]-3,4-dimethylaniline
PubChem CID10476038
Molecular FormulaC20H18IN
Molecular Weight399.28 g/mol
Exact Mass399.05
IUPAC NameN-[4-(4-iodophenyl)phenyl]-3,4-dimethylaniline
SMILESCc1ccc(Nc2ccc(-c3ccc(I)cc3)cc2)cc1C
InChIInChI=1S/C20H18IN/c1-14-3-10-20(13-15(14)2)22-19-11-6-17(7-12-19)16-4-8-18(21)9-5-16/h3-13,22H,1-2H3
InChIKeyYRUARZNTTGBNOV-UHFFFAOYSA-N
XLogP6.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.28
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3,4-dimethylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 139604467
N-(4-fluorophenyl)-3,4-dimethylaniline
CID 11020276
4-N-(2,4-dimethylphenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-diamine
CID 101290973
4-(3,4-dimethylanilino)benzoic acid
CID 62230347
4-iodo-N-phenylaniline
CID 11471947
N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 3721108
N-(3,4-dimethylphenyl)pyridin-3-amine
CID 82537517
N-[4-(4-anilinophenyl)phenyl]-3-methylaniline
CID 90221896
3,4-dimethyl-N-[2-methyl-4-(2-methylphenyl)phenyl]aniline
CID 164898383
1-[4-(3,4-dimethylanilino)phenyl]-3-propan-2-ylurea
CID 112986366
N-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide
CID 112986376
4-N-(3,4-dimethylphenyl)-2-N-methylpyridine-2,4-diamine
CID 113367409

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-iodophenyl)phenyl]-3,4-dimethylaniline?
The IUPAC name of N-[4-(4-iodophenyl)phenyl]-3,4-dimethylaniline (CID 10476038) is N-[4-(4-iodophenyl)phenyl]-3,4-dimethylaniline.
What is the SMILES notation for N-[4-(4-iodophenyl)phenyl]-3,4-dimethylaniline?
The canonical SMILES for N-[4-(4-iodophenyl)phenyl]-3,4-dimethylaniline is Cc1ccc(Nc2ccc(-c3ccc(I)cc3)cc2)cc1C.
What is the InChIKey of N-[4-(4-iodophenyl)phenyl]-3,4-dimethylaniline?
The InChIKey is YRUARZNTTGBNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18IN/c1-14-3-10-20(13-15(14)2)22-19-11-6-17(7-12-19)16-4-8-18(21)9-5-16/h3-13,22H,1-2H3.
What are the key properties of N-[4-(4-iodophenyl)phenyl]-3,4-dimethylaniline?
N-[4-(4-iodophenyl)phenyl]-3,4-dimethylaniline has a molecular weight of 399.28 g/mol, XLogP of 6.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-iodophenyl)phenyl]-3,4-dimethylaniline is sourced from PubChem (CID 10476038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).