5-(2-amino-4-iodoanilino)-2-methylpentan-1-ol

C12H19IN2O — CID 106154281

IUPAC5-(2-amino-4-iodoanilino)-2-methylpentan-1-ol
SMILESCC(CO)CCCNc1ccc(I)cc1N
InChIInChI=1S/C12H19IN2O/c1-9(8-16)3-2-6-15-12-5-4-10(13)7-11(12)14/h4-5,7,9,15-16H,2-3,6,8,14H2,1H3
InChIKeyKUYIZLCMUBJHKO-UHFFFAOYSA-N
MW334.20 g/mol
LogP2.69
Rot. Bonds6

About 5-(2-amino-4-iodoanilino)-2-methylpentan-1-ol

5-(2-amino-4-iodoanilino)-2-methylpentan-1-ol (PubChem CID 106154281) has the molecular formula C12H19IN2O and a molecular weight of 334.20 g/mol. Its IUPAC name is 5-(2-amino-4-iodoanilino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-(2-amino-4-iodoanilino)-2-methylpentan-1-ol
PubChem CID106154281
Molecular FormulaC12H19IN2O
Molecular Weight334.20 g/mol
Exact Mass334.05
IUPAC Name5-(2-amino-4-iodoanilino)-2-methylpentan-1-ol
SMILESCC(CO)CCCNc1ccc(I)cc1N
InChIInChI=1S/C12H19IN2O/c1-9(8-16)3-2-6-15-12-5-4-10(13)7-11(12)14/h4-5,7,9,15-16H,2-3,6,8,14H2,1H3
InChIKeyKUYIZLCMUBJHKO-UHFFFAOYSA-N
XLogP2.69
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-amino-4-chloroanilino)-2-methylpentan-1-ol
CID 106154375
3-(2-amino-4-iodoanilino)butan-1-ol
CID 83177225
3-(2-amino-4-iodoanilino)-2-methylsulfanylbutan-1-ol
CID 106154806
2-(2-amino-4-iodoanilino)propane-1,3-diol
CID 66081930
2-(2-amino-4-iodoanilino)-N-methylacetamide
CID 66066263
1-(2-amino-4-iodoanilino)-3-methoxypropan-2-ol
CID 66080338
4-iodo-1-N-(2-prop-2-ynylsulfanylethyl)benzene-1,2-diamine
CID 106426090
5-(2-amino-3-methoxyanilino)-2-methylpentan-1-ol
CID 106154653
5-[(3-amino-5-bromo-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154564
1-N-(3,3-dimethylbutan-2-yl)-4-iodobenzene-1,2-diamine
CID 104827380
4-iodo-1-N-(3-pyrazol-1-ylpropyl)benzene-1,2-diamine
CID 113412372
methyl 2-(2-amino-4-iodoanilino)acetate
CID 66066838

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-iodoanilino)-2-methylpentan-1-ol?
The IUPAC name of 5-(2-amino-4-iodoanilino)-2-methylpentan-1-ol (CID 106154281) is 5-(2-amino-4-iodoanilino)-2-methylpentan-1-ol.
What is the SMILES notation for 5-(2-amino-4-iodoanilino)-2-methylpentan-1-ol?
The canonical SMILES for 5-(2-amino-4-iodoanilino)-2-methylpentan-1-ol is CC(CO)CCCNc1ccc(I)cc1N.
What is the InChIKey of 5-(2-amino-4-iodoanilino)-2-methylpentan-1-ol?
The InChIKey is KUYIZLCMUBJHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN2O/c1-9(8-16)3-2-6-15-12-5-4-10(13)7-11(12)14/h4-5,7,9,15-16H,2-3,6,8,14H2,1H3.
What are the key properties of 5-(2-amino-4-iodoanilino)-2-methylpentan-1-ol?
5-(2-amino-4-iodoanilino)-2-methylpentan-1-ol has a molecular weight of 334.20 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-iodoanilino)-2-methylpentan-1-ol is sourced from PubChem (CID 106154281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).