N-[(4-chlorophenyl)methoxy]ethenamine

C9H10ClNO — CID 91065687

IUPACN-[(4-chlorophenyl)methoxy]ethenamine
SMILESC=CNOCc1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO/c1-2-11-12-7-8-3-5-9(10)6-4-8/h2-6,11H,1,7H2
InChIKeyCRPURBFYIUSVQT-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.50
Rot. Bonds4

About N-[(4-chlorophenyl)methoxy]ethenamine

N-[(4-chlorophenyl)methoxy]ethenamine (PubChem CID 91065687) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methoxy]ethenamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methoxy]ethenamine
PubChem CID91065687
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC NameN-[(4-chlorophenyl)methoxy]ethenamine
SMILESC=CNOCc1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO/c1-2-11-12-7-8-3-5-9(10)6-4-8/h2-6,11H,1,7H2
InChIKeyCRPURBFYIUSVQT-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Hydroxylamine, O-((4-chlorophenyl)methyl)-, hydrochloride (1:1)
CID 217573
2-(4-chlorobenzyloxyamino)-N-hydroxyacetamide
CID 44423684
O-[(4-chlorophenyl)methyl]hydroxylamine
CID 217574
2-[(4-Chlorophenyl)methoxy]ethan-1-amine
CID 5151145
2-[(4-Chlorophenyl)methoxy]ethan-1-amine hydrochloride
CID 17385239
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methoxy]methanamine
CID 88283054
2-[(4-Chlorophenyl)methoxy]guanidine
CID 13921
N-[(4-chloro-2-fluoro-3-methylphenyl)methoxy]ethanamine
CID 53668372
N-[(4-fluorophenyl)methoxy]ethenamine
CID 90936944
N-[(4-chloro-3-fluorophenyl)methoxy]methanimine
CID 174418922
N'-[(3-chlorophenyl)methoxy]propane-1,3-diamine
CID 134926832
N'-[(4-chlorophenyl)methoxy]propane-1,3-diamine
CID 134994315

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methoxy]ethenamine?
The IUPAC name of N-[(4-chlorophenyl)methoxy]ethenamine (CID 91065687) is N-[(4-chlorophenyl)methoxy]ethenamine.
What is the SMILES notation for N-[(4-chlorophenyl)methoxy]ethenamine?
The canonical SMILES for N-[(4-chlorophenyl)methoxy]ethenamine is C=CNOCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methoxy]ethenamine?
The InChIKey is CRPURBFYIUSVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-2-11-12-7-8-3-5-9(10)6-4-8/h2-6,11H,1,7H2.
What are the key properties of N-[(4-chlorophenyl)methoxy]ethenamine?
N-[(4-chlorophenyl)methoxy]ethenamine has a molecular weight of 183.64 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methoxy]ethenamine is sourced from PubChem (CID 91065687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).