1-(4-amino-3-ethoxyanilino)pentan-2-ol

C13H22N2O2 — CID 113495527

IUPAC1-(4-amino-3-ethoxyanilino)pentan-2-ol
SMILESCCCC(O)CNc1ccc(N)c(OCC)c1
InChIInChI=1S/C13H22N2O2/c1-3-5-11(16)9-15-10-6-7-12(14)13(8-10)17-4-2/h6-8,11,15-16H,3-5,9,14H2,1-2H3
InChIKeyLEHWMNGMIGHROR-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.24
Rot. Bonds7

About 1-(4-amino-3-ethoxyanilino)pentan-2-ol

1-(4-amino-3-ethoxyanilino)pentan-2-ol (PubChem CID 113495527) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(4-amino-3-ethoxyanilino)pentan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3-ethoxyanilino)pentan-2-ol
PubChem CID113495527
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(4-amino-3-ethoxyanilino)pentan-2-ol
SMILESCCCC(O)CNc1ccc(N)c(OCC)c1
InChIInChI=1S/C13H22N2O2/c1-3-5-11(16)9-15-10-6-7-12(14)13(8-10)17-4-2/h6-8,11,15-16H,3-5,9,14H2,1-2H3
InChIKeyLEHWMNGMIGHROR-UHFFFAOYSA-N
XLogP2.24
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.24
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-(3,4-diaminoanilino)pentan-2-ol
CID 106751189
2-(4-amino-3-ethoxyanilino)-1-cyclopropylethanol
CID 55232564
1-(4-amino-3-propoxyanilino)-4-methylpentan-2-ol
CID 107151168
2-ethoxy-4-N-(2-methylsulfinylpropyl)benzene-1,4-diamine
CID 113483988
4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
CID 63670004
ethyl 2-(4-amino-3-ethoxyanilino)acetate
CID 63670664
4-(4-amino-3-propoxyanilino)butan-2-ol
CID 64928452
3-(4-amino-3-ethoxyanilino)-4,4-dimethylpentan-1-ol
CID 106348438
1-(4-amino-3-propan-2-yloxyanilino)-4-methylpentan-2-ol
CID 107151111
2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 63671672
4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine
CID 63670946
1-(4-amino-3-ethoxyanilino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106141886

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-ethoxyanilino)pentan-2-ol?
The IUPAC name of 1-(4-amino-3-ethoxyanilino)pentan-2-ol (CID 113495527) is 1-(4-amino-3-ethoxyanilino)pentan-2-ol.
What is the SMILES notation for 1-(4-amino-3-ethoxyanilino)pentan-2-ol?
The canonical SMILES for 1-(4-amino-3-ethoxyanilino)pentan-2-ol is CCCC(O)CNc1ccc(N)c(OCC)c1.
What is the InChIKey of 1-(4-amino-3-ethoxyanilino)pentan-2-ol?
The InChIKey is LEHWMNGMIGHROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-5-11(16)9-15-10-6-7-12(14)13(8-10)17-4-2/h6-8,11,15-16H,3-5,9,14H2,1-2H3.
What are the key properties of 1-(4-amino-3-ethoxyanilino)pentan-2-ol?
1-(4-amino-3-ethoxyanilino)pentan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-ethoxyanilino)pentan-2-ol is sourced from PubChem (CID 113495527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).