N-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine

C12H12ClNO — CID 89366665

IUPACN-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine
SMILESCc1cc2ccc(Cl)cc2cc1CNO
InChIInChI=1S/C12H12ClNO/c1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14-15/h2-6,14-15H,7H2,1H3
InChIKeyGBTZLRTWBRBYRU-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.28
Rot. Bonds2

About N-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine

N-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine (PubChem CID 89366665) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is N-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine
PubChem CID89366665
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC NameN-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine
SMILESCc1cc2ccc(Cl)cc2cc1CNO
InChIInChI=1S/C12H12ClNO/c1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14-15/h2-6,14-15H,7H2,1H3
InChIKeyGBTZLRTWBRBYRU-UHFFFAOYSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(7-chloro-3-methylnaphthalen-2-yl)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

6-chloro-3-(hydroxysulfanylmethyl)-2-methylnaphthalene
CID 70341259
O-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine
CID 20595414
7-chloro-3-methylnaphthalen-2-ol
CID 20595192
N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]hydroxylamine
CID 84771311
N-[(4-fluoro-2,5-dimethylphenyl)methyl]hydroxylamine
CID 84765584
N-[(4-bromo-2-methylphenyl)methyl]hydroxylamine
CID 54220149
N-methyl-1-(3-methylnaphthalen-2-yl)methanamine
CID 90797277
N-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine
CID 117281709
2-(4-chloro-2-methylphenyl)-N-propan-2-ylacetamide
CID 171546068
(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575
2-(7-chloro-3-methoxynaphthalen-2-yl)acetic acid
CID 117380053
4-chloro-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43766570

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine?
The IUPAC name of N-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine (CID 89366665) is N-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine is Cc1cc2ccc(Cl)cc2cc1CNO.
What is the InChIKey of N-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine?
The InChIKey is GBTZLRTWBRBYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14-15/h2-6,14-15H,7H2,1H3.
What are the key properties of N-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine?
N-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine has a molecular weight of 221.69 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine is sourced from PubChem (CID 89366665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).