1-(3-aminoanilino)-4,4-dimethylpentan-2-ol

C13H22N2O — CID 107150901

IUPAC1-(3-aminoanilino)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNc1cccc(N)c1
InChIInChI=1S/C13H22N2O/c1-13(2,3)8-12(16)9-15-11-6-4-5-10(14)7-11/h4-7,12,15-16H,8-9,14H2,1-3H3
InChIKeyIOAUOGLITNOMRE-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.48
Rot. Bonds4

About 1-(3-aminoanilino)-4,4-dimethylpentan-2-ol

1-(3-aminoanilino)-4,4-dimethylpentan-2-ol (PubChem CID 107150901) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(3-aminoanilino)-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(3-aminoanilino)-4,4-dimethylpentan-2-ol
PubChem CID107150901
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(3-aminoanilino)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNc1cccc(N)c1
InChIInChI=1S/C13H22N2O/c1-13(2,3)8-12(16)9-15-11-6-4-5-10(14)7-11/h4-7,12,15-16H,8-9,14H2,1-3H3
InChIKeyIOAUOGLITNOMRE-UHFFFAOYSA-N
XLogP2.48
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.48
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-N-(2-methylpropyl)benzene-1,3-diamine
CID 43132719
3-N-(2,3,3-trimethylbutyl)benzene-1,3-diamine
CID 83142103
(1R)-2-(3-aminoanilino)-1-phenylethanol;hydrochloride
CID 175066549
3-N-(2-phenylpropyl)benzene-1,3-diamine
CID 104591278
1-amino-3-(3-bromoanilino)propan-2-ol
CID 15564361
1-[(6-aminoquinazolin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107150871
3-N-(2-ethylhexyl)benzene-1,3-diamine
CID 107819836
1-(2-amino-5-fluoroanilino)-4,4-dimethylpentan-2-ol
CID 107150865
3-N-[3-(3-aminoanilino)propyl]benzene-1,3-diamine
CID 12040476
3-(3-methylanilino)propane-1,2-diol
CID 3016394
1-[3-(3-aminophenyl)sulfonylanilino]-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 121366680
1-(3-amino-2-nitroanilino)-4,4-dimethylpentan-2-ol
CID 107159557

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminoanilino)-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-(3-aminoanilino)-4,4-dimethylpentan-2-ol (CID 107150901) is 1-(3-aminoanilino)-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(3-aminoanilino)-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(3-aminoanilino)-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNc1cccc(N)c1.
What is the InChIKey of 1-(3-aminoanilino)-4,4-dimethylpentan-2-ol?
The InChIKey is IOAUOGLITNOMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2,3)8-12(16)9-15-11-6-4-5-10(14)7-11/h4-7,12,15-16H,8-9,14H2,1-3H3.
What are the key properties of 1-(3-aminoanilino)-4,4-dimethylpentan-2-ol?
1-(3-aminoanilino)-4,4-dimethylpentan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminoanilino)-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107150901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).