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

C13H22N2O — CID 106348387

IUPAC3-(2-aminoanilino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)Nc1ccccc1N
InChIInChI=1S/C13H22N2O/c1-13(2,3)12(8-9-16)15-11-7-5-4-6-10(11)14/h4-7,12,15-16H,8-9,14H2,1-3H3
InChIKeyXXAUTACXZXQWPN-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.48
Rot. Bonds4

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

3-(2-aminoanilino)-4,4-dimethylpentan-1-ol (PubChem CID 106348387) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-(2-aminoanilino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-(2-aminoanilino)-4,4-dimethylpentan-1-ol
PubChem CID106348387
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-(2-aminoanilino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(CCO)Nc1ccccc1N
InChIInChI=1S/C13H22N2O/c1-13(2,3)12(8-9-16)15-11-7-5-4-6-10(11)14/h4-7,12,15-16H,8-9,14H2,1-3H3
InChIKeyXXAUTACXZXQWPN-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': 'anil_NH_alk_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-amino-4-chloroanilino)-4,4-dimethylpentan-1-ol
CID 106348362
3-(2-amino-6-chloroanilino)-4,4-dimethylpentan-1-ol
CID 114176714
3-(4-amino-2-bromoanilino)-4,4-dimethylpentan-1-ol
CID 106348344
2-N-(3,3-dimethylbutan-2-yl)benzene-1,2-diamine
CID 104827391
3-(2-amino-4-fluoro-5-methylanilino)-4,4-dimethylpentan-1-ol
CID 106348410
2-fluoro-6-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]benzoic acid
CID 114177524
5-amino-2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]benzenesulfonamide
CID 106348379
4,4-dimethyl-3-(quinolin-2-ylamino)pentan-1-ol
CID 106350849
3-[(5-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106348369
3-(benzylamino)-4,4-dimethylpentan-1-ol
CID 103949930
3-amino-2-bromo-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347949
3-(4-amino-3-ethoxyanilino)-4,4-dimethylpentan-1-ol
CID 106348438

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoanilino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-(2-aminoanilino)-4,4-dimethylpentan-1-ol (CID 106348387) is 3-(2-aminoanilino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-(2-aminoanilino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-(2-aminoanilino)-4,4-dimethylpentan-1-ol is CC(C)(C)C(CCO)Nc1ccccc1N.
What is the InChIKey of 3-(2-aminoanilino)-4,4-dimethylpentan-1-ol?
The InChIKey is XXAUTACXZXQWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2,3)12(8-9-16)15-11-7-5-4-6-10(11)14/h4-7,12,15-16H,8-9,14H2,1-3H3.
What are the key properties of 3-(2-aminoanilino)-4,4-dimethylpentan-1-ol?
3-(2-aminoanilino)-4,4-dimethylpentan-1-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 3-(2-aminoanilino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106348387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).