2-[1-(methoxyamino)propyl]phenol

C10H15NO2 — CID 82706320

IUPAC2-[1-(methoxyamino)propyl]phenol
SMILESCCC(NOC)c1ccccc1O
InChIInChI=1S/C10H15NO2/c1-3-9(11-13-2)8-6-4-5-7-10(8)12/h4-7,9,11-12H,3H2,1-2H3
InChIKeyYVOSWCYBMBVAAN-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.99
Rot. Bonds4

About 2-[1-(methoxyamino)propyl]phenol

2-[1-(methoxyamino)propyl]phenol (PubChem CID 82706320) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-[1-(methoxyamino)propyl]phenol.

Molecular Properties

Compound Name2-[1-(methoxyamino)propyl]phenol
PubChem CID82706320
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name2-[1-(methoxyamino)propyl]phenol
SMILESCCC(NOC)c1ccccc1O
InChIInChI=1S/C10H15NO2/c1-3-9(11-13-2)8-6-4-5-7-10(8)12/h4-7,9,11-12H,3H2,1-2H3
InChIKeyYVOSWCYBMBVAAN-UHFFFAOYSA-N
XLogP1.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-(methylamino)propyl]phenol
CID 12862798
2-[1-(cyclopentyloxyamino)propyl]phenol
CID 83229678
2-[1-(1-methoxypropan-2-ylamino)propyl]phenol
CID 43191890
2-[1-(cyclopropylamino)propyl]phenol
CID 16772826
2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol
CID 114983222
2-[1-(3,4-dimethoxyanilino)propyl]phenol
CID 43192747
2-[1-(1-phenylethylamino)propyl]phenol
CID 43189917
2-[(1S)-1-(cyclopent-3-en-1-ylamino)propyl]phenol
CID 99632914
tert-butyl N-[(1R)-1-(2-hydroxyphenyl)propyl]carbamate
CID 52908303
2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol
CID 43680009
2-[1-(pent-1-yn-3-ylamino)propyl]phenol
CID 106225526
2-[1-(2,4,4-trimethylpentan-2-ylamino)propyl]phenol
CID 43731141

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methoxyamino)propyl]phenol?
The IUPAC name of 2-[1-(methoxyamino)propyl]phenol (CID 82706320) is 2-[1-(methoxyamino)propyl]phenol.
What is the SMILES notation for 2-[1-(methoxyamino)propyl]phenol?
The canonical SMILES for 2-[1-(methoxyamino)propyl]phenol is CCC(NOC)c1ccccc1O.
What is the InChIKey of 2-[1-(methoxyamino)propyl]phenol?
The InChIKey is YVOSWCYBMBVAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-9(11-13-2)8-6-4-5-7-10(8)12/h4-7,9,11-12H,3H2,1-2H3.
What are the key properties of 2-[1-(methoxyamino)propyl]phenol?
2-[1-(methoxyamino)propyl]phenol has a molecular weight of 181.24 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methoxyamino)propyl]phenol is sourced from PubChem (CID 82706320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).