2-amino-1-(4-aminophenyl)prop-2-en-1-ol

C9H12N2O — CID 146269207

IUPAC2-amino-1-(4-aminophenyl)prop-2-en-1-ol
SMILESC=C(N)C(O)c1ccc(N)cc1
InChIInChI=1S/C9H12N2O/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-5,9,12H,1,10-11H2
InChIKeyQCVANQBWJYQLAQ-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.77
Rot. Bonds2

About 2-amino-1-(4-aminophenyl)prop-2-en-1-ol

2-amino-1-(4-aminophenyl)prop-2-en-1-ol (PubChem CID 146269207) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-amino-1-(4-aminophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-aminophenyl)prop-2-en-1-ol
PubChem CID146269207
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-amino-1-(4-aminophenyl)prop-2-en-1-ol
SMILESC=C(N)C(O)c1ccc(N)cc1
InChIInChI=1S/C9H12N2O/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-5,9,12H,1,10-11H2
InChIKeyQCVANQBWJYQLAQ-UHFFFAOYSA-N
XLogP0.77
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-aminophenyl)prop-2-en-1-ol?
The IUPAC name of 2-amino-1-(4-aminophenyl)prop-2-en-1-ol (CID 146269207) is 2-amino-1-(4-aminophenyl)prop-2-en-1-ol.
What is the SMILES notation for 2-amino-1-(4-aminophenyl)prop-2-en-1-ol?
The canonical SMILES for 2-amino-1-(4-aminophenyl)prop-2-en-1-ol is C=C(N)C(O)c1ccc(N)cc1.
What is the InChIKey of 2-amino-1-(4-aminophenyl)prop-2-en-1-ol?
The InChIKey is QCVANQBWJYQLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-5,9,12H,1,10-11H2.
What are the key properties of 2-amino-1-(4-aminophenyl)prop-2-en-1-ol?
2-amino-1-(4-aminophenyl)prop-2-en-1-ol has a molecular weight of 164.21 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-aminophenyl)prop-2-en-1-ol is sourced from PubChem (CID 146269207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).