2-(2-amino-6-methylanilino)-2-methylbutan-1-ol

C12H20N2O — CID 115550597

IUPAC2-(2-amino-6-methylanilino)-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1c(C)cccc1N
InChIInChI=1S/C12H20N2O/c1-4-12(3,8-15)14-11-9(2)6-5-7-10(11)13/h5-7,14-15H,4,8,13H2,1-3H3
InChIKeyKNIWSWLXOQSXIW-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.15
Rot. Bonds4

About 2-(2-amino-6-methylanilino)-2-methylbutan-1-ol

2-(2-amino-6-methylanilino)-2-methylbutan-1-ol (PubChem CID 115550597) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(2-amino-6-methylanilino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(2-amino-6-methylanilino)-2-methylbutan-1-ol
PubChem CID115550597
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(2-amino-6-methylanilino)-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1c(C)cccc1N
InChIInChI=1S/C12H20N2O/c1-4-12(3,8-15)14-11-9(2)6-5-7-10(11)13/h5-7,14-15H,4,8,13H2,1-3H3
InChIKeyKNIWSWLXOQSXIW-UHFFFAOYSA-N
XLogP2.15
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-amino-6-methylanilino)-2-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

2-(2-amino-6-methylanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107845627
2-N-tert-butyl-3-methylbenzene-1,2-diamine
CID 70363393
2-[2-(aminomethyl)-6-methylanilino]-2-methylpropane-1,3-diol
CID 107105784
1-(2-amino-6-methylanilino)-2-methylbutan-2-ol
CID 115550619
2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-6-methylbenzenesulfonamide
CID 64549084
3-methyl-2-N-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diamine
CID 115550347
2-N-(2-ethoxy-2-methylpropyl)-3-methylbenzene-1,2-diamine
CID 114940564
2-(2-amino-6-methylanilino)propane-1,3-diol
CID 115550630
2-hydrazinyl-3-methylaniline
CID 118990747
2-methyl-2-(2,3,4,5,6-pentafluoroanilino)butan-1-ol
CID 64556841
2-[(5-amino-7-fluoroquinolin-8-yl)amino]-2-methylbutan-1-ol
CID 83165509
3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 82668611

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-methylanilino)-2-methylbutan-1-ol?
The IUPAC name of 2-(2-amino-6-methylanilino)-2-methylbutan-1-ol (CID 115550597) is 2-(2-amino-6-methylanilino)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(2-amino-6-methylanilino)-2-methylbutan-1-ol?
The canonical SMILES for 2-(2-amino-6-methylanilino)-2-methylbutan-1-ol is CCC(C)(CO)Nc1c(C)cccc1N.
What is the InChIKey of 2-(2-amino-6-methylanilino)-2-methylbutan-1-ol?
The InChIKey is KNIWSWLXOQSXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-12(3,8-15)14-11-9(2)6-5-7-10(11)13/h5-7,14-15H,4,8,13H2,1-3H3.
What are the key properties of 2-(2-amino-6-methylanilino)-2-methylbutan-1-ol?
2-(2-amino-6-methylanilino)-2-methylbutan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-methylanilino)-2-methylbutan-1-ol is sourced from PubChem (CID 115550597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).