3-iodo-N-(3-phenylprop-2-enyl)aniline

C15H14IN — CID 76997519

IUPAC3-iodo-N-(3-phenylprop-2-enyl)aniline
SMILESIc1cccc(NCC=Cc2ccccc2)c1
InChIInChI=1S/C15H14IN/c16-14-9-4-10-15(12-14)17-11-5-8-13-6-2-1-3-7-13/h1-10,12,17H,11H2
InChIKeyQAUGRTGATIVHIS-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.42
Rot. Bonds4

About 3-iodo-N-(3-phenylprop-2-enyl)aniline

3-iodo-N-(3-phenylprop-2-enyl)aniline (PubChem CID 76997519) has the molecular formula C15H14IN and a molecular weight of 335.19 g/mol. Its IUPAC name is 3-iodo-N-(3-phenylprop-2-enyl)aniline.

Molecular Properties

Compound Name3-iodo-N-(3-phenylprop-2-enyl)aniline
PubChem CID76997519
Molecular FormulaC15H14IN
Molecular Weight335.19 g/mol
Exact Mass335.02
IUPAC Name3-iodo-N-(3-phenylprop-2-enyl)aniline
SMILESIc1cccc(NCC=Cc2ccccc2)c1
InChIInChI=1S/C15H14IN/c16-14-9-4-10-15(12-14)17-11-5-8-13-6-2-1-3-7-13/h1-10,12,17H,11H2
InChIKeyQAUGRTGATIVHIS-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-iodo-N-(3-phenylprop-2-enyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-iodo-N-[(E)-3-phenylprop-2-enyl]aniline
CID 107606608
3,5-dichloro-N-(3-phenylprop-2-enyl)aniline
CID 78605740
2-iodo-N-(3-phenylprop-2-enyl)aniline
CID 78944181
3-chloro-4-methyl-N-(3-phenylprop-2-enyl)aniline
CID 73471536
N-(3-phenylprop-2-enyl)-1-benzothiophen-5-amine
CID 77070203
3-(imidazol-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]aniline
CID 6474849
N-[(E)-3-phenylprop-2-enyl]-3H-benzimidazol-5-amine
CID 86579992
2-(3-iodoanilino)-N-phenylacetamide
CID 28829964
(E)-N,N'-diphenylbut-2-ene-1,4-diamine
CID 101288969
N-[(E)-3-phenylprop-2-enyl]naphthalen-1-amine
CID 7949251
4-ethoxy-N-(3-phenylprop-2-enyl)aniline
CID 4202531
2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine
CID 6387609

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(3-phenylprop-2-enyl)aniline?
The IUPAC name of 3-iodo-N-(3-phenylprop-2-enyl)aniline (CID 76997519) is 3-iodo-N-(3-phenylprop-2-enyl)aniline.
What is the SMILES notation for 3-iodo-N-(3-phenylprop-2-enyl)aniline?
The canonical SMILES for 3-iodo-N-(3-phenylprop-2-enyl)aniline is Ic1cccc(NCC=Cc2ccccc2)c1.
What is the InChIKey of 3-iodo-N-(3-phenylprop-2-enyl)aniline?
The InChIKey is QAUGRTGATIVHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN/c16-14-9-4-10-15(12-14)17-11-5-8-13-6-2-1-3-7-13/h1-10,12,17H,11H2.
What are the key properties of 3-iodo-N-(3-phenylprop-2-enyl)aniline?
3-iodo-N-(3-phenylprop-2-enyl)aniline has a molecular weight of 335.19 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(3-phenylprop-2-enyl)aniline is sourced from PubChem (CID 76997519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).