[3-(ethylaminomethyl)phenyl] hypochlorite

C9H12ClNO — CID 163518139

IUPAC[3-(ethylaminomethyl)phenyl] hypochlorite
SMILESCCNCc1cccc(OCl)c1
InChIInChI=1S/C9H12ClNO/c1-2-11-7-8-4-3-5-9(6-8)12-10/h3-6,11H,2,7H2,1H3
InChIKeyDINBBRTWIAMLHH-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.33
Rot. Bonds4

About [3-(ethylaminomethyl)phenyl] hypochlorite

[3-(ethylaminomethyl)phenyl] hypochlorite (PubChem CID 163518139) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is [3-(ethylaminomethyl)phenyl] hypochlorite.

Molecular Properties

Compound Name[3-(ethylaminomethyl)phenyl] hypochlorite
PubChem CID163518139
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name[3-(ethylaminomethyl)phenyl] hypochlorite
SMILESCCNCc1cccc(OCl)c1
InChIInChI=1S/C9H12ClNO/c1-2-11-7-8-4-3-5-9(6-8)12-10/h3-6,11H,2,7H2,1H3
InChIKeyDINBBRTWIAMLHH-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
CID 43457063
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
N-[(3-butan-2-yloxyphenyl)methyl]ethanamine
CID 43278347
N-[[3-(3-methylphenoxy)phenyl]methyl]ethanamine
CID 63942314
N-[[3-(4-propylphenoxy)phenyl]methyl]ethanamine
CID 63942334
N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849949
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
methyl 2-[3-(ethylaminomethyl)phenoxy]acetate
CID 60882225
N-[[3-(2-propoxyethoxy)phenyl]methyl]ethanamine
CID 62450058
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290789
2-[3-(ethylaminomethyl)phenoxy]butanoic acid
CID 64668910
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 104560645

Frequently Asked Questions

What is the IUPAC name of [3-(ethylaminomethyl)phenyl] hypochlorite?
The IUPAC name of [3-(ethylaminomethyl)phenyl] hypochlorite (CID 163518139) is [3-(ethylaminomethyl)phenyl] hypochlorite.
What is the SMILES notation for [3-(ethylaminomethyl)phenyl] hypochlorite?
The canonical SMILES for [3-(ethylaminomethyl)phenyl] hypochlorite is CCNCc1cccc(OCl)c1.
What is the InChIKey of [3-(ethylaminomethyl)phenyl] hypochlorite?
The InChIKey is DINBBRTWIAMLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-2-11-7-8-4-3-5-9(6-8)12-10/h3-6,11H,2,7H2,1H3.
What are the key properties of [3-(ethylaminomethyl)phenyl] hypochlorite?
[3-(ethylaminomethyl)phenyl] hypochlorite has a molecular weight of 185.65 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethylaminomethyl)phenyl] hypochlorite is sourced from PubChem (CID 163518139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).