1-(3-chlorophenyl)-N-methoxyethenamine

C9H10ClNO — CID 57106527

IUPAC1-(3-chlorophenyl)-N-methoxyethenamine
SMILESC=C(NOC)c1cccc(Cl)c1
InChIInChI=1S/C9H10ClNO/c1-7(11-12-2)8-4-3-5-9(10)6-8/h3-6,11H,1H2,2H3
InChIKeyVJSWDPWVEJGVAQ-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.46
Rot. Bonds3

About 1-(3-chlorophenyl)-N-methoxyethenamine

1-(3-chlorophenyl)-N-methoxyethenamine (PubChem CID 57106527) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methoxyethenamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methoxyethenamine
PubChem CID57106527
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name1-(3-chlorophenyl)-N-methoxyethenamine
SMILESC=C(NOC)c1cccc(Cl)c1
InChIInChI=1S/C9H10ClNO/c1-7(11-12-2)8-4-3-5-9(10)6-8/h3-6,11H,1H2,2H3
InChIKeyVJSWDPWVEJGVAQ-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.46
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

[(2-Chlorophenyl)methyl](methoxy)amine hydrochloride
CID 119031737
[(4-Chlorophenyl)methyl](methoxy)amine
CID 12482322
1-(1-Azidovinyl)-3-chlorobenzene
CID 118323696
n-(3-Chloro-4-fluoro-benzyl)-o-methyl-hydroxylamine
CID 12146882
[(2-Chlorophenyl)methyl](methoxy)amine
CID 13192618
1-[4-chloro-3-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 56977854
1-(3-chloro-4-fluorophenyl)-N-methoxyethenamine
CID 57049882
1-(4-chloro-3-fluorophenyl)-N-methoxyethenamine
CID 57065375
1-(2-chloro-4-fluorophenyl)-N-methoxyethenamine
CID 57087609
1-(3-chloro-4-fluorophenyl)-N-methoxyethanamine
CID 78968847
1-(4-chloro-3-fluorophenyl)-N-(1-methylcyclopropyl)oxyethenamine
CID 89143257
(Z)-4-chloro-1-(4-fluorophenyl)-N-methoxybut-1-en-1-amine
CID 123464172

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methoxyethenamine?
The IUPAC name of 1-(3-chlorophenyl)-N-methoxyethenamine (CID 57106527) is 1-(3-chlorophenyl)-N-methoxyethenamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methoxyethenamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-methoxyethenamine is C=C(NOC)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-methoxyethenamine?
The InChIKey is VJSWDPWVEJGVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-7(11-12-2)8-4-3-5-9(10)6-8/h3-6,11H,1H2,2H3.
What are the key properties of 1-(3-chlorophenyl)-N-methoxyethenamine?
1-(3-chlorophenyl)-N-methoxyethenamine has a molecular weight of 183.64 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methoxyethenamine is sourced from PubChem (CID 57106527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).