[2-amino-5-(3-aminoprop-1-enyl)phenyl]methanol

C10H14N2O — CID 169463643

IUPAC[2-amino-5-(3-aminoprop-1-enyl)phenyl]methanol
SMILESNCC=Cc1ccc(N)c(CO)c1
InChIInChI=1S/C10H14N2O/c11-5-1-2-8-3-4-10(12)9(6-8)7-13/h1-4,6,13H,5,7,11-12H2
InChIKeyWWOZJFKDFKYQID-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.73
Rot. Bonds3

About [2-amino-5-(3-aminoprop-1-enyl)phenyl]methanol

[2-amino-5-(3-aminoprop-1-enyl)phenyl]methanol (PubChem CID 169463643) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is [2-amino-5-(3-aminoprop-1-enyl)phenyl]methanol.

Molecular Properties

Compound Name[2-amino-5-(3-aminoprop-1-enyl)phenyl]methanol
PubChem CID169463643
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name[2-amino-5-(3-aminoprop-1-enyl)phenyl]methanol
SMILESNCC=Cc1ccc(N)c(CO)c1
InChIInChI=1S/C10H14N2O/c11-5-1-2-8-3-4-10(12)9(6-8)7-13/h1-4,6,13H,5,7,11-12H2
InChIKeyWWOZJFKDFKYQID-UHFFFAOYSA-N
XLogP0.73
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.73
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-5-(3-aminoprop-1-enyl)phenyl]methanol?
The IUPAC name of [2-amino-5-(3-aminoprop-1-enyl)phenyl]methanol (CID 169463643) is [2-amino-5-(3-aminoprop-1-enyl)phenyl]methanol.
What is the SMILES notation for [2-amino-5-(3-aminoprop-1-enyl)phenyl]methanol?
The canonical SMILES for [2-amino-5-(3-aminoprop-1-enyl)phenyl]methanol is NCC=Cc1ccc(N)c(CO)c1.
What is the InChIKey of [2-amino-5-(3-aminoprop-1-enyl)phenyl]methanol?
The InChIKey is WWOZJFKDFKYQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c11-5-1-2-8-3-4-10(12)9(6-8)7-13/h1-4,6,13H,5,7,11-12H2.
What are the key properties of [2-amino-5-(3-aminoprop-1-enyl)phenyl]methanol?
[2-amino-5-(3-aminoprop-1-enyl)phenyl]methanol has a molecular weight of 178.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(3-aminoprop-1-enyl)phenyl]methanol is sourced from PubChem (CID 169463643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).