N-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine

C8H10ClNO2 — CID 117280945

IUPACN-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine
SMILESCOc1cccc(CNO)c1Cl
InChIInChI=1S/C8H10ClNO2/c1-12-7-4-2-3-6(5-10-11)8(7)9/h2-4,10-11H,5H2,1H3
InChIKeyFDRHCDQFJVAOMY-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.83
Rot. Bonds3

About N-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine

N-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine (PubChem CID 117280945) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is N-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine
PubChem CID117280945
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC NameN-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine
SMILESCOc1cccc(CNO)c1Cl
InChIInChI=1S/C8H10ClNO2/c1-12-7-4-2-3-6(5-10-11)8(7)9/h2-4,10-11H,5H2,1H3
InChIKeyFDRHCDQFJVAOMY-UHFFFAOYSA-N
XLogP1.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-chloro-3-methoxyphenyl)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

N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077
N-[(2-bromo-3-methoxyphenyl)methyl]hydroxylamine
CID 117335656
[1-[(2-chloro-3-methoxyphenyl)methyl]imidazol-2-yl]methanol
CID 166381140
3-chloro-2-[(hydroxyamino)methyl]-4-methoxyphenol
CID 84777573
3,5-dichloro-4-[2-(2-chloro-3-methoxyphenyl)ethyl]phenol
CID 101118969
N-[(2,3-dichloro-4-methoxyphenyl)methyl]ethanamine
CID 82551134
N-[(2S)-1-(2-chloro-3-methoxyphenyl)propan-2-yl]formamide
CID 125472898
2-[(2-chloro-3-methoxyphenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171373977
1-[1-[(2-chloro-3-methoxyphenyl)methyl]pyrazol-3-yl]ethanol
CID 126835821
methyl 2-chloro-3-methoxybenzoate
CID 10262208
N-[(2,3-dichloro-4-methoxyphenyl)methyl]carbamoyl chloride
CID 115194701
(2,3-dichloro-4-methoxyphenyl)methylcarbamic acid
CID 115170906

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine (CID 117280945) is N-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine is COc1cccc(CNO)c1Cl.
What is the InChIKey of N-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine?
The InChIKey is FDRHCDQFJVAOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2/c1-12-7-4-2-3-6(5-10-11)8(7)9/h2-4,10-11H,5H2,1H3.
What are the key properties of N-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine?
N-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine has a molecular weight of 187.63 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117280945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).