O-[(3-chloro-5-methyl-4-phenylmethoxyphenyl)methyl]hydroxylamine

C15H16ClNO2 — CID 117445197

IUPACO-[(3-chloro-5-methyl-4-phenylmethoxyphenyl)methyl]hydroxylamine
SMILESCc1cc(CON)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C15H16ClNO2/c1-11-7-13(10-19-17)8-14(16)15(11)18-9-12-5-3-2-4-6-12/h2-8H,9-10,17H2,1H3
InChIKeyHTFMHDAFMVOIHD-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.62
Rot. Bonds5

About O-[(3-chloro-5-methyl-4-phenylmethoxyphenyl)methyl]hydroxylamine

O-[(3-chloro-5-methyl-4-phenylmethoxyphenyl)methyl]hydroxylamine (PubChem CID 117445197) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is O-[(3-chloro-5-methyl-4-phenylmethoxyphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3-chloro-5-methyl-4-phenylmethoxyphenyl)methyl]hydroxylamine
PubChem CID117445197
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC NameO-[(3-chloro-5-methyl-4-phenylmethoxyphenyl)methyl]hydroxylamine
SMILESCc1cc(CON)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C15H16ClNO2/c1-11-7-13(10-19-17)8-14(16)15(11)18-9-12-5-3-2-4-6-12/h2-8H,9-10,17H2,1H3
InChIKeyHTFMHDAFMVOIHD-UHFFFAOYSA-N
XLogP3.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze O-[(3-chloro-5-methyl-4-phenylmethoxyphenyl)methyl]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-(3-chloro-5-methyl-4-phenylmethoxyphenyl)-N-methoxymethanamine
CID 117471245
3-(3-chloro-5-methyl-4-phenylmethoxyphenyl)propan-1-ol
CID 117469838
1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene
CID 164895451
1-chloro-3-methyl-2-phenylmethoxybenzene
CID 71366901
1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)cyclopropan-1-ol
CID 117466511
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline
CID 126128677
2-(3,5-dichloro-4-phenylmethoxyphenyl)-N-methylethanamine
CID 82550820
4-chloro-2-methyl-3-phenylmethoxypyridin-1-ium chloride
CID 70353014
(E)-3-(3,5-dimethyl-4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 117422190
1,3-dimethyl-2-phenylmethoxy-5-propan-2-ylbenzene
CID 59709239
3-bromo-5-methyl-4-phenylmethoxyaniline
CID 142435992
3,5-dimethyl-4-phenylmethoxybenzamide
CID 97179397

Frequently Asked Questions

What is the IUPAC name of O-[(3-chloro-5-methyl-4-phenylmethoxyphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(3-chloro-5-methyl-4-phenylmethoxyphenyl)methyl]hydroxylamine (CID 117445197) is O-[(3-chloro-5-methyl-4-phenylmethoxyphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3-chloro-5-methyl-4-phenylmethoxyphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(3-chloro-5-methyl-4-phenylmethoxyphenyl)methyl]hydroxylamine is Cc1cc(CON)cc(Cl)c1OCc1ccccc1.
What is the InChIKey of O-[(3-chloro-5-methyl-4-phenylmethoxyphenyl)methyl]hydroxylamine?
The InChIKey is HTFMHDAFMVOIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-11-7-13(10-19-17)8-14(16)15(11)18-9-12-5-3-2-4-6-12/h2-8H,9-10,17H2,1H3.
What are the key properties of O-[(3-chloro-5-methyl-4-phenylmethoxyphenyl)methyl]hydroxylamine?
O-[(3-chloro-5-methyl-4-phenylmethoxyphenyl)methyl]hydroxylamine has a molecular weight of 277.75 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3-chloro-5-methyl-4-phenylmethoxyphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117445197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).