O-[1-(4-methoxyphenyl)ethyl]hydroxylamine

C9H13NO2 — CID 55269080

IUPACO-[1-(4-methoxyphenyl)ethyl]hydroxylamine
SMILESCOc1ccc(C(C)ON)cc1
InChIInChI=1S/C9H13NO2/c1-7(12-10)8-3-5-9(11-2)6-4-8/h3-7H,10H2,1-2H3
InChIKeyVXQNMQZALRGTNG-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.65
Rot. Bonds3

About O-[1-(4-methoxyphenyl)ethyl]hydroxylamine

O-[1-(4-methoxyphenyl)ethyl]hydroxylamine (PubChem CID 55269080) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is O-[1-(4-methoxyphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[1-(4-methoxyphenyl)ethyl]hydroxylamine
PubChem CID55269080
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameO-[1-(4-methoxyphenyl)ethyl]hydroxylamine
SMILESCOc1ccc(C(C)ON)cc1
InChIInChI=1S/C9H13NO2/c1-7(12-10)8-3-5-9(11-2)6-4-8/h3-7H,10H2,1-2H3
InChIKeyVXQNMQZALRGTNG-UHFFFAOYSA-N
XLogP1.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze O-[1-(4-methoxyphenyl)ethyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-4-[4-(1-methoxyethyl)phenyl]benzene
CID 139694053
3-(4-methoxyphenyl)butan-2-amine
CID 54524041
O-[4-[1,2-bis(4-aminooxyphenyl)-2-(4-methoxyphenyl)ethyl]phenyl]hydroxylamine
CID 161215163
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
3-(4-methoxyphenyl)butan-2-amine;hydrochloride
CID 170910507
4-[1-(4-methoxyphenyl)ethyl]aniline
CID 11644284
1-(1-butan-2-yloxyethyl)-4-methoxybenzene
CID 101479468
CID 175713586
CID 175713586
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
1-(1,1-dimethoxypropan-2-yl)-4-methoxybenzene
CID 13482611
1-[(1S)-1-butoxyethyl]-4-methoxybenzene
CID 102525034
1-(4-methoxyphenyl)ethyl hydrogen sulfate
CID 155167289

Frequently Asked Questions

What is the IUPAC name of O-[1-(4-methoxyphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[1-(4-methoxyphenyl)ethyl]hydroxylamine (CID 55269080) is O-[1-(4-methoxyphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[1-(4-methoxyphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[1-(4-methoxyphenyl)ethyl]hydroxylamine is COc1ccc(C(C)ON)cc1.
What is the InChIKey of O-[1-(4-methoxyphenyl)ethyl]hydroxylamine?
The InChIKey is VXQNMQZALRGTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7(12-10)8-3-5-9(11-2)6-4-8/h3-7H,10H2,1-2H3.
What are the key properties of O-[1-(4-methoxyphenyl)ethyl]hydroxylamine?
O-[1-(4-methoxyphenyl)ethyl]hydroxylamine has a molecular weight of 167.21 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[1-(4-methoxyphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 55269080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).