1-N-(1-ethoxypropan-2-yl)-2-iodobenzene-1,4-diamine

C11H17IN2O — CID 66095407

IUPAC1-N-(1-ethoxypropan-2-yl)-2-iodobenzene-1,4-diamine
SMILESCCOCC(C)Nc1ccc(N)cc1I
InChIInChI=1S/C11H17IN2O/c1-3-15-7-8(2)14-11-5-4-9(13)6-10(11)12/h4-6,8,14H,3,7,13H2,1-2H3
InChIKeyWJSRCJVGNYHQES-UHFFFAOYSA-N
MW320.17 g/mol
LogP2.71
Rot. Bonds5

About 1-N-(1-ethoxypropan-2-yl)-2-iodobenzene-1,4-diamine

1-N-(1-ethoxypropan-2-yl)-2-iodobenzene-1,4-diamine (PubChem CID 66095407) has the molecular formula C11H17IN2O and a molecular weight of 320.17 g/mol. Its IUPAC name is 1-N-(1-ethoxypropan-2-yl)-2-iodobenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(1-ethoxypropan-2-yl)-2-iodobenzene-1,4-diamine
PubChem CID66095407
Molecular FormulaC11H17IN2O
Molecular Weight320.17 g/mol
Exact Mass320.04
IUPAC Name1-N-(1-ethoxypropan-2-yl)-2-iodobenzene-1,4-diamine
SMILESCCOCC(C)Nc1ccc(N)cc1I
InChIInChI=1S/C11H17IN2O/c1-3-15-7-8(2)14-11-5-4-9(13)6-10(11)12/h4-6,8,14H,3,7,13H2,1-2H3
InChIKeyWJSRCJVGNYHQES-UHFFFAOYSA-N
XLogP2.71
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[1-(diethylamino)propan-2-yl]-2-iodobenzene-1,4-diamine
CID 66094177
N-(1-ethoxypropan-2-yl)-4-iodo-2-methylaniline
CID 115929993
1-N-(1-cyclopropylpropan-2-yl)-2-iodobenzene-1,4-diamine
CID 66093989
2-N-(1-ethoxypropan-2-yl)-1,3-benzoxazole-2,6-diamine
CID 79893287
2-chloro-1-N-(1-methoxypropan-2-yl)benzene-1,4-diamine
CID 43115381
3-chloro-1-N-(1-ethoxypropan-2-yl)benzene-1,2-diamine
CID 104834375
4-amino-3-(1-ethoxypropan-2-ylamino)benzenesulfonamide
CID 82908006
N-(1-ethoxypropan-2-yl)-2,6-dimethylpyridin-3-amine
CID 115922217
ethyl 4-amino-3-(1-ethoxypropan-2-ylamino)benzoate
CID 82785251
5-N-(1-ethoxypropan-2-yl)pyridine-3,5-diamine
CID 104533935
N-(1-ethoxypropan-2-yl)-2-fluoro-5-methylaniline
CID 115923021
3-(1-ethoxypropan-2-ylamino)-4-methoxybenzamide
CID 115928740

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-ethoxypropan-2-yl)-2-iodobenzene-1,4-diamine?
The IUPAC name of 1-N-(1-ethoxypropan-2-yl)-2-iodobenzene-1,4-diamine (CID 66095407) is 1-N-(1-ethoxypropan-2-yl)-2-iodobenzene-1,4-diamine.
What is the SMILES notation for 1-N-(1-ethoxypropan-2-yl)-2-iodobenzene-1,4-diamine?
The canonical SMILES for 1-N-(1-ethoxypropan-2-yl)-2-iodobenzene-1,4-diamine is CCOCC(C)Nc1ccc(N)cc1I.
What is the InChIKey of 1-N-(1-ethoxypropan-2-yl)-2-iodobenzene-1,4-diamine?
The InChIKey is WJSRCJVGNYHQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2O/c1-3-15-7-8(2)14-11-5-4-9(13)6-10(11)12/h4-6,8,14H,3,7,13H2,1-2H3.
What are the key properties of 1-N-(1-ethoxypropan-2-yl)-2-iodobenzene-1,4-diamine?
1-N-(1-ethoxypropan-2-yl)-2-iodobenzene-1,4-diamine has a molecular weight of 320.17 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-ethoxypropan-2-yl)-2-iodobenzene-1,4-diamine is sourced from PubChem (CID 66095407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).