2-iodo-1-N-prop-2-enylbenzene-1,4-diamine

C9H11IN2 — CID 66094796

IUPAC2-iodo-1-N-prop-2-enylbenzene-1,4-diamine
SMILESC=CCNc1ccc(N)cc1I
InChIInChI=1S/C9H11IN2/c1-2-5-12-9-4-3-7(11)6-8(9)10/h2-4,6,12H,1,5,11H2
InChIKeyZUAUMNWXMPSKBJ-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.47
Rot. Bonds3

About 2-iodo-1-N-prop-2-enylbenzene-1,4-diamine

2-iodo-1-N-prop-2-enylbenzene-1,4-diamine (PubChem CID 66094796) has the molecular formula C9H11IN2 and a molecular weight of 274.11 g/mol. Its IUPAC name is 2-iodo-1-N-prop-2-enylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-iodo-1-N-prop-2-enylbenzene-1,4-diamine
PubChem CID66094796
Molecular FormulaC9H11IN2
Molecular Weight274.11 g/mol
Exact Mass274.00
IUPAC Name2-iodo-1-N-prop-2-enylbenzene-1,4-diamine
SMILESC=CCNc1ccc(N)cc1I
InChIInChI=1S/C9H11IN2/c1-2-5-12-9-4-3-7(11)6-8(9)10/h2-4,6,12H,1,5,11H2
InChIKeyZUAUMNWXMPSKBJ-UHFFFAOYSA-N
XLogP2.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-N-prop-2-enylbenzene-1,4-diamine
CID 15219986
2-iodo-1-N-(3-methylbut-2-enyl)benzene-1,4-diamine
CID 106182064
3-iodo-4-(prop-2-enylamino)benzonitrile
CID 102368028
1-N-[2-(dimethylamino)ethyl]-2-iodobenzene-1,4-diamine
CID 66095990
5-amino-N-methyl-2-(prop-2-enylamino)benzamide
CID 100639501
1-N-benzyl-2-iodobenzene-1,4-diamine
CID 66093524
1-N-(2,2-dimethylbutyl)-2-iodobenzene-1,4-diamine
CID 103460116
[4-amino-2-(prop-2-enylamino)phenyl] methanesulfonate
CID 123228750
1-N-[(4-fluorophenyl)methyl]-2-iodobenzene-1,4-diamine
CID 66094964
2-iodo-1-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzene-1,4-diamine
CID 66093758
3-[(4-amino-2-iodoanilino)methyl]cyclobutan-1-ol
CID 66094201
3-(4-amino-2-iodoanilino)propane-1-sulfonamide
CID 66093146

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-N-prop-2-enylbenzene-1,4-diamine?
The IUPAC name of 2-iodo-1-N-prop-2-enylbenzene-1,4-diamine (CID 66094796) is 2-iodo-1-N-prop-2-enylbenzene-1,4-diamine.
What is the SMILES notation for 2-iodo-1-N-prop-2-enylbenzene-1,4-diamine?
The canonical SMILES for 2-iodo-1-N-prop-2-enylbenzene-1,4-diamine is C=CCNc1ccc(N)cc1I.
What is the InChIKey of 2-iodo-1-N-prop-2-enylbenzene-1,4-diamine?
The InChIKey is ZUAUMNWXMPSKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2/c1-2-5-12-9-4-3-7(11)6-8(9)10/h2-4,6,12H,1,5,11H2.
What are the key properties of 2-iodo-1-N-prop-2-enylbenzene-1,4-diamine?
2-iodo-1-N-prop-2-enylbenzene-1,4-diamine has a molecular weight of 274.11 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-N-prop-2-enylbenzene-1,4-diamine is sourced from PubChem (CID 66094796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).