(2-aminophenoxy)methanol

C7H9NO2 — CID 22976615

IUPAC(2-aminophenoxy)methanol
SMILESNc1ccccc1OCO
InChIInChI=1S/C7H9NO2/c8-6-3-1-2-4-7(6)10-5-9/h1-4,9H,5,8H2
InChIKeyMPIVDFUAQVKULL-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.60
Rot. Bonds2

About (2-aminophenoxy)methanol

(2-aminophenoxy)methanol (PubChem CID 22976615) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is (2-aminophenoxy)methanol.

Molecular Properties

Compound Name(2-aminophenoxy)methanol
PubChem CID22976615
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name(2-aminophenoxy)methanol
SMILESNc1ccccc1OCO
InChIInChI=1S/C7H9NO2/c8-6-3-1-2-4-7(6)10-5-9/h1-4,9H,5,8H2
InChIKeyMPIVDFUAQVKULL-UHFFFAOYSA-N
XLogP0.60
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
CID 102305462
2-ethoxyaniline;molecular hydrogen
CID 144877970
3-(2-aminophenoxy)propanamide
CID 39869131
2-ethoxyaniline;propan-2-one
CID 517004
2-(3,3-dichloroprop-2-enoxy)aniline
CID 164664249
2-(methylsulfanylmethoxy)aniline
CID 71337574
N-[(2-aminophenoxy)methyl]-N-ethylhydroxylamine
CID 54363080
2-(3,3-difluoropropoxy)aniline
CID 84660949
2-(2,2,2-trifluoroethoxy)aniline;hydrochloride
CID 21272058
2-octoxyaniline
CID 14747235
2-(2-aminophenoxy)ethylcarbamic acid
CID 70087941

Frequently Asked Questions

What is the IUPAC name of (2-aminophenoxy)methanol?
The IUPAC name of (2-aminophenoxy)methanol (CID 22976615) is (2-aminophenoxy)methanol.
What is the SMILES notation for (2-aminophenoxy)methanol?
The canonical SMILES for (2-aminophenoxy)methanol is Nc1ccccc1OCO.
What is the InChIKey of (2-aminophenoxy)methanol?
The InChIKey is MPIVDFUAQVKULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c8-6-3-1-2-4-7(6)10-5-9/h1-4,9H,5,8H2.
What are the key properties of (2-aminophenoxy)methanol?
(2-aminophenoxy)methanol has a molecular weight of 139.15 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenoxy)methanol is sourced from PubChem (CID 22976615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).