1-(2-amino-4-methoxyanilino)-4-methoxy-2-methylbutan-2-ol

C13H22N2O3 — CID 114164064

IUPAC1-(2-amino-4-methoxyanilino)-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1ccc(OC)cc1N
InChIInChI=1S/C13H22N2O3/c1-13(16,6-7-17-2)9-15-12-5-4-10(18-3)8-11(12)14/h4-5,8,15-16H,6-7,9,14H2,1-3H3
InChIKeyGAKSULMLSSNOHK-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.48
Rot. Bonds7

About 1-(2-amino-4-methoxyanilino)-4-methoxy-2-methylbutan-2-ol

1-(2-amino-4-methoxyanilino)-4-methoxy-2-methylbutan-2-ol (PubChem CID 114164064) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2-amino-4-methoxyanilino)-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2-amino-4-methoxyanilino)-4-methoxy-2-methylbutan-2-ol
PubChem CID114164064
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(2-amino-4-methoxyanilino)-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNc1ccc(OC)cc1N
InChIInChI=1S/C13H22N2O3/c1-13(16,6-7-17-2)9-15-12-5-4-10(18-3)8-11(12)14/h4-5,8,15-16H,6-7,9,14H2,1-3H3
InChIKeyGAKSULMLSSNOHK-UHFFFAOYSA-N
XLogP1.48
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-methoxyanilino)-4-methoxy-2-methylbutan-2-ol
CID 106250963
1-(3-amino-2-methylanilino)-4-methoxy-2-methylbutan-2-ol
CID 106250587
1-[(5-aminoisoquinolin-8-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106250928
1-(2-amino-3-fluoroanilino)-4-methoxy-2-methylbutan-2-ol
CID 106250724
1-[(2-fluoro-4-methoxyphenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 106254304
1-(2-amino-4-butoxyanilino)-2-methylpropan-2-ol
CID 162498763
6-amino-5-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3H-1,3-benzoxazol-2-one
CID 106250680
1-(2-amino-4-methoxyanilino)-3-ethylpentan-2-ol
CID 106284251
4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol
CID 103784299
1-N-[2-[2-(dimethylamino)ethoxy]ethyl]-4-methoxybenzene-1,2-diamine
CID 114126972
2-hydrazinyl-5-methoxyaniline
CID 119013430
2-amino-N-(2-hydroxy-2-methylpentyl)-5-methoxybenzamide
CID 106289273

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methoxyanilino)-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-(2-amino-4-methoxyanilino)-4-methoxy-2-methylbutan-2-ol (CID 114164064) is 1-(2-amino-4-methoxyanilino)-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-(2-amino-4-methoxyanilino)-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-(2-amino-4-methoxyanilino)-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNc1ccc(OC)cc1N.
What is the InChIKey of 1-(2-amino-4-methoxyanilino)-4-methoxy-2-methylbutan-2-ol?
The InChIKey is GAKSULMLSSNOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(16,6-7-17-2)9-15-12-5-4-10(18-3)8-11(12)14/h4-5,8,15-16H,6-7,9,14H2,1-3H3.
What are the key properties of 1-(2-amino-4-methoxyanilino)-4-methoxy-2-methylbutan-2-ol?
1-(2-amino-4-methoxyanilino)-4-methoxy-2-methylbutan-2-ol has a molecular weight of 254.33 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methoxyanilino)-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 114164064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).