[4-(2-iodoethenyl)phenyl]methanamine

C9H10IN — CID 174758565

IUPAC[4-(2-iodoethenyl)phenyl]methanamine
SMILESNCc1ccc(C=CI)cc1
InChIInChI=1S/C9H10IN/c10-6-5-8-1-3-9(7-11)4-2-8/h1-6H,7,11H2
InChIKeyDABUPXNSWKWOBL-UHFFFAOYSA-N
MW259.09 g/mol
LogP2.55
Rot. Bonds2

About [4-(2-iodoethenyl)phenyl]methanamine

[4-(2-iodoethenyl)phenyl]methanamine (PubChem CID 174758565) has the molecular formula C9H10IN and a molecular weight of 259.09 g/mol. Its IUPAC name is [4-(2-iodoethenyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2-iodoethenyl)phenyl]methanamine
PubChem CID174758565
Molecular FormulaC9H10IN
Molecular Weight259.09 g/mol
Exact Mass258.99
IUPAC Name[4-(2-iodoethenyl)phenyl]methanamine
SMILESNCc1ccc(C=CI)cc1
InChIInChI=1S/C9H10IN/c10-6-5-8-1-3-9(7-11)4-2-8/h1-6H,7,11H2
InChIKeyDABUPXNSWKWOBL-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 52.55
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-(3-chloroprop-1-enyl)phenyl]methanamine
CID 169477052
3-[4-(aminomethyl)phenyl]prop-2-enal
CID 151004676
3-[4-(aminomethyl)phenyl]prop-2-enoic acid;hydrochloride
CID 68848924
[4-(aminomethyl)phenyl]methanamine;tetrachlorostannane
CID 175880044
[4-[(E)-2-(4-ethoxyphenyl)ethenyl]phenyl]methanamine
CID 142082081
3-[4-(aminomethyl)phenyl]prop-2-ene-1-sulfonamide
CID 174751962
1-ethenyl-4-[(E)-2-iodoethenyl]benzene
CID 24873640
4-[4-(aminomethyl)phenyl]-N-methylbut-3-en-1-amine
CID 170495473
4-[2-[4-(aminomethyl)phenyl]ethenyl]-N'-methylbenzenecarboximidamide
CID 57029880
6-[(E)-2-[4-(aminomethyl)phenyl]ethenyl]naphthalene-2-carboxamide
CID 142645139
(4-aminophenyl) (E)-3-[4-(aminomethyl)phenyl]prop-2-enoate
CID 174578586
2-[5-[4-(aminomethyl)phenyl]penta-1,4-dienyl]phenol
CID 174929671

Frequently Asked Questions

What is the IUPAC name of [4-(2-iodoethenyl)phenyl]methanamine?
The IUPAC name of [4-(2-iodoethenyl)phenyl]methanamine (CID 174758565) is [4-(2-iodoethenyl)phenyl]methanamine.
What is the SMILES notation for [4-(2-iodoethenyl)phenyl]methanamine?
The canonical SMILES for [4-(2-iodoethenyl)phenyl]methanamine is NCc1ccc(C=CI)cc1.
What is the InChIKey of [4-(2-iodoethenyl)phenyl]methanamine?
The InChIKey is DABUPXNSWKWOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN/c10-6-5-8-1-3-9(7-11)4-2-8/h1-6H,7,11H2.
What are the key properties of [4-(2-iodoethenyl)phenyl]methanamine?
[4-(2-iodoethenyl)phenyl]methanamine has a molecular weight of 259.09 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-iodoethenyl)phenyl]methanamine is sourced from PubChem (CID 174758565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).