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

C15H14IN — CID 78944181

IUPAC2-iodo-N-(3-phenylprop-2-enyl)aniline
SMILESIc1ccccc1NCC=Cc1ccccc1
InChIInChI=1S/C15H14IN/c16-14-10-4-5-11-15(14)17-12-6-9-13-7-2-1-3-8-13/h1-11,17H,12H2
InChIKeyBNBKCYKIALLRLU-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.42
Rot. Bonds4

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

2-iodo-N-(3-phenylprop-2-enyl)aniline (PubChem CID 78944181) has the molecular formula C15H14IN and a molecular weight of 335.19 g/mol. Its IUPAC name is 2-iodo-N-(3-phenylprop-2-enyl)aniline.

Molecular Properties

Compound Name2-iodo-N-(3-phenylprop-2-enyl)aniline
PubChem CID78944181
Molecular FormulaC15H14IN
Molecular Weight335.19 g/mol
Exact Mass335.02
IUPAC Name2-iodo-N-(3-phenylprop-2-enyl)aniline
SMILESIc1ccccc1NCC=Cc1ccccc1
InChIInChI=1S/C15H14IN/c16-14-10-4-5-11-15(14)17-12-6-9-13-7-2-1-3-8-13/h1-11,17H,12H2
InChIKeyBNBKCYKIALLRLU-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'}

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Related Compounds

2-N-[(E)-3-phenylprop-2-enyl]benzene-1,2-diamine
CID 6508892
N-[(E)-3-chloroprop-2-enyl]-2-iodoaniline
CID 103791947
N-[(E)-3-phenylprop-2-enyl]naphthalen-1-amine
CID 7949251
2-chloro-4-iodo-N-[(E)-3-phenylprop-2-enyl]aniline
CID 107606608
3-iodo-N-(3-phenylprop-2-enyl)aniline
CID 76997519
2,5-dichloro-4-methyl-N-[(E)-3-phenylprop-2-enyl]aniline
CID 104726942
2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine
CID 6387609
1-iodo-2-[(E)-3-phenylprop-2-enoxy]benzene
CID 11198459
3,5-dichloro-N-(3-phenylprop-2-enyl)aniline
CID 78605740
2,4-dimethoxy-N-[(E)-3-phenylprop-2-enyl]aniline
CID 11414530
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
4-methyl-3-(3-phenylprop-2-enylamino)benzonitrile
CID 76940292

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(3-phenylprop-2-enyl)aniline?
The IUPAC name of 2-iodo-N-(3-phenylprop-2-enyl)aniline (CID 78944181) is 2-iodo-N-(3-phenylprop-2-enyl)aniline.
What is the SMILES notation for 2-iodo-N-(3-phenylprop-2-enyl)aniline?
The canonical SMILES for 2-iodo-N-(3-phenylprop-2-enyl)aniline is Ic1ccccc1NCC=Cc1ccccc1.
What is the InChIKey of 2-iodo-N-(3-phenylprop-2-enyl)aniline?
The InChIKey is BNBKCYKIALLRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN/c16-14-10-4-5-11-15(14)17-12-6-9-13-7-2-1-3-8-13/h1-11,17H,12H2.
What are the key properties of 2-iodo-N-(3-phenylprop-2-enyl)aniline?
2-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 2-iodo-N-(3-phenylprop-2-enyl)aniline is sourced from PubChem (CID 78944181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).