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

C11H16Cl2N2O — CID 106890570

IUPAC2-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H16Cl2N2O/c1-6(2)10(5-16)15-11-8(12)3-7(14)4-9(11)13/h3-4,6,10,15-16H,5,14H2,1-2H3
InChIKeyDLEMOEMCAHUYTA-UHFFFAOYSA-N
MW263.17 g/mol
LogP3.00
Rot. Bonds4

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

2-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol (PubChem CID 106890570) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is 2-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol
PubChem CID106890570
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC Name2-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H16Cl2N2O/c1-6(2)10(5-16)15-11-8(12)3-7(14)4-9(11)13/h3-4,6,10,15-16H,5,14H2,1-2H3
InChIKeyDLEMOEMCAHUYTA-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(4-amino-2-chloroanilino)-3-methylbutan-1-ol
CID 79248045
5-amino-3-chloro-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzoic acid
CID 107194989
2-(3-amino-5-propan-2-yloxyanilino)-3-methylbutan-1-ol
CID 80734602
2-(2-chloro-4-methoxyanilino)-3-methylbutan-1-ol
CID 115137311
2,6-dichloro-1-N-(1-methylsulfinylpropan-2-yl)benzene-1,4-diamine
CID 106890795
(2S)-2-(2-amino-6-methylanilino)-3-methylbutan-1-ol
CID 115550688
3-chloro-4-[(1-hydroxy-3-methylbutan-2-yl)amino]benzoic acid
CID 79245289
2-[(4-amino-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79248276
2,6-dichloro-1-N-[1-(3-chlorophenyl)ethyl]benzene-1,4-diamine
CID 106890129
5-amino-2-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248425
2-[2-(aminomethyl)-4-chloroanilino]-3-methylbutan-1-ol
CID 79254831
2,6-dichloro-1-N-[5-(diethylamino)pentan-2-yl]benzene-1,4-diamine
CID 106889815

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol?
The IUPAC name of 2-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol (CID 106890570) is 2-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol?
The canonical SMILES for 2-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol is CC(C)C(CO)Nc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 2-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol?
The InChIKey is DLEMOEMCAHUYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O/c1-6(2)10(5-16)15-11-8(12)3-7(14)4-9(11)13/h3-4,6,10,15-16H,5,14H2,1-2H3.
What are the key properties of 2-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol?
2-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol has a molecular weight of 263.17 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,6-dichloroanilino)-3-methylbutan-1-ol is sourced from PubChem (CID 106890570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).