1-amino-2-anilinoethanol

C8H12N2O — CID 54286676

IUPAC1-amino-2-anilinoethanol
SMILESNC(O)CNc1ccccc1
InChIInChI=1S/C8H12N2O/c9-8(11)6-10-7-4-2-1-3-5-7/h1-5,8,10-11H,6,9H2
InChIKeyGYVMBFVEKRTZLS-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.38
Rot. Bonds3

About 1-amino-2-anilinoethanol

1-amino-2-anilinoethanol (PubChem CID 54286676) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-amino-2-anilinoethanol.

Molecular Properties

Compound Name1-amino-2-anilinoethanol
PubChem CID54286676
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-amino-2-anilinoethanol
SMILESNC(O)CNc1ccccc1
InChIInChI=1S/C8H12N2O/c9-8(11)6-10-7-4-2-1-3-5-7/h1-5,8,10-11H,6,9H2
InChIKeyGYVMBFVEKRTZLS-UHFFFAOYSA-N
XLogP0.38
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-anilino-3-chloropropan-2-ol
CID 3640254
2-fluoro-N'-phenylpropane-1,3-diamine
CID 105433807
(2R)-3-methyl-1-N-phenylbutane-1,2-diamine
CID 89354678
1-anilino-3,3-dimethylbutan-2-ol
CID 10607819
3-amino-2-(anilinomethyl)butanoic acid
CID 22626953
(2R,3S)-1-anilinopent-4-ene-2,3-diol
CID 14282993
4-(2-anilino-1-hydroxyethyl)phenol
CID 11701381
1-anilino-2-methylpentan-3-ol
CID 69294698
3-anilino-2-methylpropanethioamide
CID 82075999
2-anilino-1-(4-chlorophenyl)ethanol
CID 13416404
N-(2-bromopropyl)aniline
CID 13183607
1-amino-2-[3-(2-hydroxyethylsulfonyl)anilino]ethanol
CID 57132229

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-anilinoethanol?
The IUPAC name of 1-amino-2-anilinoethanol (CID 54286676) is 1-amino-2-anilinoethanol.
What is the SMILES notation for 1-amino-2-anilinoethanol?
The canonical SMILES for 1-amino-2-anilinoethanol is NC(O)CNc1ccccc1.
What is the InChIKey of 1-amino-2-anilinoethanol?
The InChIKey is GYVMBFVEKRTZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c9-8(11)6-10-7-4-2-1-3-5-7/h1-5,8,10-11H,6,9H2.
What are the key properties of 1-amino-2-anilinoethanol?
1-amino-2-anilinoethanol has a molecular weight of 152.20 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-anilinoethanol is sourced from PubChem (CID 54286676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).