2-amino-2-(3-aminophenyl)propan-1-ol;dihydrochloride

C9H16Cl2N2O — CID 126797017

IUPAC2-amino-2-(3-aminophenyl)propan-1-ol;dihydrochloride
SMILESCC(N)(CO)c1cccc(N)c1.Cl.Cl
InChIInChI=1S/C9H14N2O.2ClH/c1-9(11,6-12)7-3-2-4-8(10)5-7;;/h2-5,12H,6,10-11H2,1H3;2*1H
InChIKeyWAFAGMXQYJPZMA-UHFFFAOYSA-N
MW239.15 g/mol
LogP1.28
Rot. Bonds2

About 2-amino-2-(3-aminophenyl)propan-1-ol;dihydrochloride

2-amino-2-(3-aminophenyl)propan-1-ol;dihydrochloride (PubChem CID 126797017) has the molecular formula C9H16Cl2N2O and a molecular weight of 239.15 g/mol. Its IUPAC name is 2-amino-2-(3-aminophenyl)propan-1-ol;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(3-aminophenyl)propan-1-ol;dihydrochloride
PubChem CID126797017
Molecular FormulaC9H16Cl2N2O
Molecular Weight239.15 g/mol
Exact Mass238.06
IUPAC Name2-amino-2-(3-aminophenyl)propan-1-ol;dihydrochloride
SMILESCC(N)(CO)c1cccc(N)c1.Cl.Cl
InChIInChI=1S/C9H14N2O.2ClH/c1-9(11,6-12)7-3-2-4-8(10)5-7;;/h2-5,12H,6,10-11H2,1H3;2*1H
InChIKeyWAFAGMXQYJPZMA-UHFFFAOYSA-N
XLogP1.28
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.15
LogP ≤ 51.28
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-2-(3-aminophenyl)propan-1-ol;dihydrochloride?
The IUPAC name of 2-amino-2-(3-aminophenyl)propan-1-ol;dihydrochloride (CID 126797017) is 2-amino-2-(3-aminophenyl)propan-1-ol;dihydrochloride.
What is the SMILES notation for 2-amino-2-(3-aminophenyl)propan-1-ol;dihydrochloride?
The canonical SMILES for 2-amino-2-(3-aminophenyl)propan-1-ol;dihydrochloride is CC(N)(CO)c1cccc(N)c1.Cl.Cl.
What is the InChIKey of 2-amino-2-(3-aminophenyl)propan-1-ol;dihydrochloride?
The InChIKey is WAFAGMXQYJPZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.2ClH/c1-9(11,6-12)7-3-2-4-8(10)5-7;;/h2-5,12H,6,10-11H2,1H3;2*1H.
What are the key properties of 2-amino-2-(3-aminophenyl)propan-1-ol;dihydrochloride?
2-amino-2-(3-aminophenyl)propan-1-ol;dihydrochloride has a molecular weight of 239.15 g/mol, XLogP of 1.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-aminophenyl)propan-1-ol;dihydrochloride is sourced from PubChem (CID 126797017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).