4-(2-iodoethoxy)-N,N-diphenylaniline

C20H18INO — CID 163496028

IUPAC4-(2-iodoethoxy)-N,N-diphenylaniline
SMILESICCOc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H18INO/c21-15-16-23-20-13-11-19(12-14-20)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15-16H2
InChIKeyCQUGYZFNCVYELK-UHFFFAOYSA-N
MW415.27 g/mol
LogP5.97
Rot. Bonds6

About 4-(2-iodoethoxy)-N,N-diphenylaniline

4-(2-iodoethoxy)-N,N-diphenylaniline (PubChem CID 163496028) has the molecular formula C20H18INO and a molecular weight of 415.27 g/mol. Its IUPAC name is 4-(2-iodoethoxy)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(2-iodoethoxy)-N,N-diphenylaniline
PubChem CID163496028
Molecular FormulaC20H18INO
Molecular Weight415.27 g/mol
Exact Mass415.04
IUPAC Name4-(2-iodoethoxy)-N,N-diphenylaniline
SMILESICCOc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H18INO/c21-15-16-23-20-13-11-19(12-14-20)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15-16H2
InChIKeyCQUGYZFNCVYELK-UHFFFAOYSA-N
XLogP5.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.27
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[4-[3-[4-(N-(4-methoxyphenyl)anilino)phenoxy]propoxy]phenyl]-N-phenylaniline
CID 18996741
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
N-(4-butoxyphenyl)-4-methoxy-N-phenylaniline
CID 18996772
N-(4-pentoxyphenyl)-4-[4-(N-(4-pentoxyphenyl)anilino)phenyl]-N-phenylaniline
CID 21311051
4-[(E)-2-(4-ethoxyphenyl)ethenyl]-N,N-diphenylaniline
CID 70499270
4-[4-(N-[4-(2-hydroxyethoxy)phenyl]anilino)phenyl]benzaldehyde
CID 20580224
3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenoxy]propyl acetate
CID 20605378
O-[4-(N-phenylanilino)phenyl]hydroxylamine
CID 143364763
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline
CID 139670251
4-[4-(2-methylpropoxy)phenoxy]-N,N-diphenylaniline
CID 58701260
2-[4-(N-[4-[4-(N-[4-(carboxymethoxy)phenyl]anilino)phenyl]phenyl]anilino)phenoxy]acetic acid
CID 102587627

Frequently Asked Questions

What is the IUPAC name of 4-(2-iodoethoxy)-N,N-diphenylaniline?
The IUPAC name of 4-(2-iodoethoxy)-N,N-diphenylaniline (CID 163496028) is 4-(2-iodoethoxy)-N,N-diphenylaniline.
What is the SMILES notation for 4-(2-iodoethoxy)-N,N-diphenylaniline?
The canonical SMILES for 4-(2-iodoethoxy)-N,N-diphenylaniline is ICCOc1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(2-iodoethoxy)-N,N-diphenylaniline?
The InChIKey is CQUGYZFNCVYELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18INO/c21-15-16-23-20-13-11-19(12-14-20)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15-16H2.
What are the key properties of 4-(2-iodoethoxy)-N,N-diphenylaniline?
4-(2-iodoethoxy)-N,N-diphenylaniline has a molecular weight of 415.27 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iodoethoxy)-N,N-diphenylaniline is sourced from PubChem (CID 163496028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).