2-(3-aminophenoxy)propan-1-ol

C9H13NO2 — CID 130503390

IUPAC2-(3-aminophenoxy)propan-1-ol
SMILESCC(CO)Oc1cccc(N)c1
InChIInChI=1S/C9H13NO2/c1-7(6-11)12-9-4-2-3-8(10)5-9/h2-5,7,11H,6,10H2,1H3
InChIKeyUNAWNCIMZLRWPX-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.03
Rot. Bonds3

About 2-(3-aminophenoxy)propan-1-ol

2-(3-aminophenoxy)propan-1-ol (PubChem CID 130503390) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(3-aminophenoxy)propan-1-ol.

Molecular Properties

Compound Name2-(3-aminophenoxy)propan-1-ol
PubChem CID130503390
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-(3-aminophenoxy)propan-1-ol
SMILESCC(CO)Oc1cccc(N)c1
InChIInChI=1S/C9H13NO2/c1-7(6-11)12-9-4-2-3-8(10)5-9/h2-5,7,11H,6,10H2,1H3
InChIKeyUNAWNCIMZLRWPX-UHFFFAOYSA-N
XLogP1.03
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-propan-2-ylphenoxy)propan-1-ol
CID 82075961
3-heptan-2-yloxyaniline
CID 91558266
2-(3-aminophenoxy)propanamide
CID 43115971
benzene;ethane;2-phenoxypropan-1-ol
CID 145115512
3-(1-hydroxypropan-2-yloxy)benzonitrile
CID 126975960
1-(3-aminophenoxy)butan-1-ol
CID 173226029
3-[4-(4-methylpiperazin-1-yl)butan-2-yloxy]aniline
CID 82036988
4-amino-2-[(2S)-1-hydroxypropan-2-yl]oxyphenol
CID 89102627
2-(3-aminophenoxy)butanamide
CID 62901524
(2R)-2-(3-aminophenoxy)-N-methylpropanamide
CID 28908554
(2S)-2-(3-aminophenoxy)butanoic acid
CID 40788014
2,2,2-trifluoroethyl (2S)-2-(3-aminophenoxy)propanoate
CID 100616854

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)propan-1-ol?
The IUPAC name of 2-(3-aminophenoxy)propan-1-ol (CID 130503390) is 2-(3-aminophenoxy)propan-1-ol.
What is the SMILES notation for 2-(3-aminophenoxy)propan-1-ol?
The canonical SMILES for 2-(3-aminophenoxy)propan-1-ol is CC(CO)Oc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenoxy)propan-1-ol?
The InChIKey is UNAWNCIMZLRWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7(6-11)12-9-4-2-3-8(10)5-9/h2-5,7,11H,6,10H2,1H3.
What are the key properties of 2-(3-aminophenoxy)propan-1-ol?
2-(3-aminophenoxy)propan-1-ol has a molecular weight of 167.21 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)propan-1-ol is sourced from PubChem (CID 130503390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).