3-amino-2-(4-aminophenyl)propan-1-ol

C9H14N2O — CID 131676348

IUPAC3-amino-2-(4-aminophenyl)propan-1-ol
SMILESNCC(CO)c1ccc(N)cc1
InChIInChI=1S/C9H14N2O/c10-5-8(6-12)7-1-3-9(11)4-2-7/h1-4,8,12H,5-6,10-11H2
InChIKeyXHSDVEGOIJOVDG-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.30
Rot. Bonds3

About 3-amino-2-(4-aminophenyl)propan-1-ol

3-amino-2-(4-aminophenyl)propan-1-ol (PubChem CID 131676348) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-amino-2-(4-aminophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-aminophenyl)propan-1-ol
PubChem CID131676348
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-amino-2-(4-aminophenyl)propan-1-ol
SMILESNCC(CO)c1ccc(N)cc1
InChIInChI=1S/C9H14N2O/c10-5-8(6-12)7-1-3-9(11)4-2-7/h1-4,8,12H,5-6,10-11H2
InChIKeyXHSDVEGOIJOVDG-UHFFFAOYSA-N
XLogP0.30
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol
CID 46911819
3-amino-2-(4-chlorophenyl)propan-1-ol
CID 67926367
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol;hydrochloride
CID 91810279
(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827
3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 75251632
4-amino-3-(4-aminophenyl)butanoic acid
CID 15091311
3-amino-2-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 63215999
(2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol
CID 95441222
4-[(1R)-2-amino-1-fluoroethyl]aniline
CID 124660461
2-phenyl-3-tritiooxypropan-1-amine
CID 162491169
sulfo 1-(4-aminophenyl)-2-hydroxyethanesulfonate
CID 174961819
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-aminophenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(4-aminophenyl)propan-1-ol (CID 131676348) is 3-amino-2-(4-aminophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(4-aminophenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(4-aminophenyl)propan-1-ol is NCC(CO)c1ccc(N)cc1.
What is the InChIKey of 3-amino-2-(4-aminophenyl)propan-1-ol?
The InChIKey is XHSDVEGOIJOVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c10-5-8(6-12)7-1-3-9(11)4-2-7/h1-4,8,12H,5-6,10-11H2.
What are the key properties of 3-amino-2-(4-aminophenyl)propan-1-ol?
3-amino-2-(4-aminophenyl)propan-1-ol has a molecular weight of 166.22 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-aminophenyl)propan-1-ol is sourced from PubChem (CID 131676348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).