3-(2-amino-4-chloroanilino)-2,3-dimethylbutan-2-ol

C12H19ClN2O — CID 106183405

IUPAC3-(2-amino-4-chloroanilino)-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1ccc(Cl)cc1N
InChIInChI=1S/C12H19ClN2O/c1-11(2,12(3,4)16)15-10-6-5-8(13)7-9(10)14/h5-7,15-16H,14H2,1-4H3
InChIKeyHVZGMCZJTQYSSR-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.88
Rot. Bonds3

About 3-(2-amino-4-chloroanilino)-2,3-dimethylbutan-2-ol

3-(2-amino-4-chloroanilino)-2,3-dimethylbutan-2-ol (PubChem CID 106183405) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 3-(2-amino-4-chloroanilino)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-(2-amino-4-chloroanilino)-2,3-dimethylbutan-2-ol
PubChem CID106183405
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name3-(2-amino-4-chloroanilino)-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)Nc1ccc(Cl)cc1N
InChIInChI=1S/C12H19ClN2O/c1-11(2,12(3,4)16)15-10-6-5-8(13)7-9(10)14/h5-7,15-16H,14H2,1-4H3
InChIKeyHVZGMCZJTQYSSR-UHFFFAOYSA-N
XLogP2.88
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-4-fluoroanilino)-2,3-dimethylbutan-2-ol
CID 106183294
3-[2-amino-4-(trifluoromethyl)anilino]-2,3-dimethylbutan-2-ol
CID 106183414
3-(4-chloro-2-nitroanilino)-2,3-dimethylbutan-2-ol
CID 106185290
3-(5-chloro-2-nitroanilino)-2,3-dimethylbutan-2-ol
CID 106185345
N-(2-amino-4-chlorophenyl)-3,3-dimethylbutanamide
CID 16781358
N-(2-amino-4-chlorophenyl)-4-tert-butylbenzamide
CID 16777469
1-(2-amino-4-chloroanilino)propan-2-ol
CID 15932693
4-chloro-1-N-fluorobenzene-1,2-diamine
CID 146389148
3-(2-amino-4-chloroanilino)-4,4-dimethylpentan-1-ol
CID 106348362
N-(2-amino-4-chlorophenyl)-2,2,2-trifluoroacetamide
CID 14399786
4-chloro-1-N-[(3,4-dimethylphenyl)methyl]benzene-1,2-diamine
CID 115125234
4-chloro-1-N-(5-chloro-2-methylphenyl)benzene-1,2-diamine
CID 29067539

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-chloroanilino)-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-(2-amino-4-chloroanilino)-2,3-dimethylbutan-2-ol (CID 106183405) is 3-(2-amino-4-chloroanilino)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-(2-amino-4-chloroanilino)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-(2-amino-4-chloroanilino)-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(C)Nc1ccc(Cl)cc1N.
What is the InChIKey of 3-(2-amino-4-chloroanilino)-2,3-dimethylbutan-2-ol?
The InChIKey is HVZGMCZJTQYSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-11(2,12(3,4)16)15-10-6-5-8(13)7-9(10)14/h5-7,15-16H,14H2,1-4H3.
What are the key properties of 3-(2-amino-4-chloroanilino)-2,3-dimethylbutan-2-ol?
3-(2-amino-4-chloroanilino)-2,3-dimethylbutan-2-ol has a molecular weight of 242.75 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-chloroanilino)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106183405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).