3-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol

C11H16Cl2N2O — CID 106890819

IUPAC3-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol
SMILESCC(C)(CCO)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H16Cl2N2O/c1-11(2,3-4-16)15-10-8(12)5-7(14)6-9(10)13/h5-6,15-16H,3-4,14H2,1-2H3
InChIKeyBSRRSFKZUDHORL-UHFFFAOYSA-N
MW263.17 g/mol
LogP3.15
Rot. Bonds4

About 3-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol

3-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol (PubChem CID 106890819) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is 3-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol
PubChem CID106890819
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC Name3-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol
SMILESCC(C)(CCO)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H16Cl2N2O/c1-11(2,3-4-16)15-10-8(12)5-7(14)6-9(10)13/h5-6,15-16H,3-4,14H2,1-2H3
InChIKeyBSRRSFKZUDHORL-UHFFFAOYSA-N
XLogP3.15
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 53.15
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-(4-amino-2,6-dichloroanilino)-3-methylbutanamide
CID 106095679
3-(4-tert-butyl-2,6-dimethylanilino)-3-methylbutan-1-ol
CID 115133840
3-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]-5-nitrobenzoic acid
CID 107191304
3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 102760014
N-(4-amino-2,6-dichlorophenyl)-3,3,3-trifluoropropanamide
CID 16778408
2-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol
CID 106890570
5-chloro-2-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 114920020
5-amino-3-chloro-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]benzoic acid
CID 107195950
3-[(3-bromo-5-chloro-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 114836148
methyl 3-(4-amino-2,6-dichloroanilino)propanoate
CID 106890049
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494
3-(4-amino-2-chloroanilino)-2-methylpropane-1,2-diol
CID 66169047

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol?
The IUPAC name of 3-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol (CID 106890819) is 3-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol.
What is the SMILES notation for 3-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol?
The canonical SMILES for 3-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol is CC(C)(CCO)Nc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 3-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol?
The InChIKey is BSRRSFKZUDHORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O/c1-11(2,3-4-16)15-10-8(12)5-7(14)6-9(10)13/h5-6,15-16H,3-4,14H2,1-2H3.
What are the key properties of 3-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol?
3-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol has a molecular weight of 263.17 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol is sourced from PubChem (CID 106890819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).