1-(3-amino-2-methylanilino)-4-methoxy-2-methylbutan-2-ol

C13H22N2O2 — CID 106250587

IUPAC1-(3-amino-2-methylanilino)-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1cccc(N)c1C
InChIInChI=1S/C13H22N2O2/c1-10-11(14)5-4-6-12(10)15-9-13(2,16)7-8-17-3/h4-6,15-16H,7-9,14H2,1-3H3
InChIKeyDGGHAAIXMJLXKJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.78
Rot. Bonds6

About 1-(3-amino-2-methylanilino)-4-methoxy-2-methylbutan-2-ol

1-(3-amino-2-methylanilino)-4-methoxy-2-methylbutan-2-ol (PubChem CID 106250587) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(3-amino-2-methylanilino)-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(3-amino-2-methylanilino)-4-methoxy-2-methylbutan-2-ol
PubChem CID106250587
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(3-amino-2-methylanilino)-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1cccc(N)c1C
InChIInChI=1S/C13H22N2O2/c1-10-11(14)5-4-6-12(10)15-9-13(2,16)7-8-17-3/h4-6,15-16H,7-9,14H2,1-3H3
InChIKeyDGGHAAIXMJLXKJ-UHFFFAOYSA-N
XLogP1.78
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-3-fluoroanilino)-4-methoxy-2-methylbutan-2-ol
CID 106250724
1-(3-amino-2-methylanilino)-2,4-dimethylpentan-2-ol
CID 66180708
1-(2-amino-4-methoxyanilino)-4-methoxy-2-methylbutan-2-ol
CID 114164064
1-(2-amino-5-methoxyanilino)-4-methoxy-2-methylbutan-2-ol
CID 106250963
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]benzonitrile
CID 106253939
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249207
4-methoxy-1-(3-methoxy-2-nitroanilino)-2-methylbutan-2-ol
CID 106254031
1-[(5-aminoisoquinolin-8-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106250928
1-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106257973
3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249245
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-4-methylbenzoic acid
CID 114165013
1-(6-amino-3-chloro-2-fluoroanilino)-4-methoxy-2-methylbutan-2-ol
CID 114271170

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylanilino)-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-(3-amino-2-methylanilino)-4-methoxy-2-methylbutan-2-ol (CID 106250587) is 1-(3-amino-2-methylanilino)-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-(3-amino-2-methylanilino)-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-(3-amino-2-methylanilino)-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNc1cccc(N)c1C.
What is the InChIKey of 1-(3-amino-2-methylanilino)-4-methoxy-2-methylbutan-2-ol?
The InChIKey is DGGHAAIXMJLXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10-11(14)5-4-6-12(10)15-9-13(2,16)7-8-17-3/h4-6,15-16H,7-9,14H2,1-3H3.
What are the key properties of 1-(3-amino-2-methylanilino)-4-methoxy-2-methylbutan-2-ol?
1-(3-amino-2-methylanilino)-4-methoxy-2-methylbutan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylanilino)-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 106250587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).