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

C12H12ClNO — CID 20595414

IUPACO-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine
SMILESCc1cc2ccc(Cl)cc2cc1CON
InChIInChI=1S/C12H12ClNO/c1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-15-14/h2-6H,7,14H2,1H3
InChIKeyFIYRHESOOBUGAQ-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.19
Rot. Bonds2

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

O-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine (PubChem CID 20595414) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is O-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine
PubChem CID20595414
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC NameO-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine
SMILESCc1cc2ccc(Cl)cc2cc1CON
InChIInChI=1S/C12H12ClNO/c1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-15-14/h2-6H,7,14H2,1H3
InChIKeyFIYRHESOOBUGAQ-UHFFFAOYSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-(hydroxysulfanylmethyl)-2-methylnaphthalene
CID 70341259
N-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine
CID 89366665
O-[(5-chloro-4-fluoro-2-methylphenyl)methyl]hydroxylamine
CID 117281702
O-[(4-bromo-2-methylphenyl)methyl]hydroxylamine
CID 20595379
O-[(2-bromo-5-chlorophenyl)methyl]hydroxylamine
CID 117345694
O-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine
CID 117281696
O-[(5-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 83700383
O-[(2-fluoro-5-methylphenyl)methyl]hydroxylamine
CID 83808202
2-(7-chloro-3-methoxynaphthalen-2-yl)acetic acid
CID 117380053
O-[(6-chloro-1-methylindol-3-yl)methyl]hydroxylamine
CID 117196287
(4-chloro-2-methylphenyl)methyl acetate
CID 91715961
O-[(6-chloro-1H-indol-3-yl)methyl]hydroxylamine
CID 117196286

Frequently Asked Questions

What is the IUPAC name of O-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine?
The IUPAC name of O-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine (CID 20595414) is O-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine is Cc1cc2ccc(Cl)cc2cc1CON.
What is the InChIKey of O-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine?
The InChIKey is FIYRHESOOBUGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-15-14/h2-6H,7,14H2,1H3.
What are the key properties of O-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine?
O-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine has a molecular weight of 221.69 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(7-chloro-3-methylnaphthalen-2-yl)methyl]hydroxylamine is sourced from PubChem (CID 20595414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).