4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline

C16H16IN — CID 10936986

IUPAC4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2ccc(I)cc2)cc1
InChIInChI=1S/C16H16IN/c1-18(2)16-11-7-14(8-12-16)4-3-13-5-9-15(17)10-6-13/h3-12H,1-2H3/b4-3+
InChIKeyRCVUDYJMEJWTNN-ONEGZZNKSA-N
MW349.22 g/mol
LogP4.53
Rot. Bonds3

About 4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline

4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline (PubChem CID 10936986) has the molecular formula C16H16IN and a molecular weight of 349.22 g/mol. Its IUPAC name is 4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline
PubChem CID10936986
Molecular FormulaC16H16IN
Molecular Weight349.22 g/mol
Exact Mass349.03
IUPAC Name4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2ccc(I)cc2)cc1
InChIInChI=1S/C16H16IN/c1-18(2)16-11-7-14(8-12-16)4-3-13-5-9-15(17)10-6-13/h3-12H,1-2H3/b4-3+
InChIKeyRCVUDYJMEJWTNN-ONEGZZNKSA-N
XLogP4.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
4-[(E)-[(E)-(4-iodophenyl)methylidenehydrazinylidene]methyl]-N,N-dimethylaniline
CID 154979865
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
4-[2-(6-iodo-3-pyridinyl)ethenyl]-N,N-dimethylaniline
CID 72771992
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
4-[(E)-2-[4-[bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 99649280
4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
CID 71427638
4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline
CID 577894
4-[(E)-2-[3-bromo-5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 10895598
4-[(E)-2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyrazin-2-yl]ethenyl]-N,N-dimethylaniline
CID 50936651
N,N-dimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
CID 6015156

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline (CID 10936986) is 4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C/c2ccc(I)cc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline?
The InChIKey is RCVUDYJMEJWTNN-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H16IN/c1-18(2)16-11-7-14(8-12-16)4-3-13-5-9-15(17)10-6-13/h3-12H,1-2H3/b4-3+.
What are the key properties of 4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline?
4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline has a molecular weight of 349.22 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 10936986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).