N-[(E)-1-(4-chlorophenyl)prop-2-enylideneamino]methanamine

C10H11ClN2 — CID 143835017

IUPACN-[(E)-1-(4-chlorophenyl)prop-2-enylideneamino]methanamine
SMILESC=C/C(=N\NC)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2/c1-3-10(13-12-2)8-4-6-9(11)7-5-8/h3-7,12H,1H2,2H3/b13-10+
InChIKeyKTVKOLUTGBGKPI-JLHYYAGUSA-N
MW194.66 g/mol
LogP2.45
Rot. Bonds3

About N-[(E)-1-(4-chlorophenyl)prop-2-enylideneamino]methanamine

N-[(E)-1-(4-chlorophenyl)prop-2-enylideneamino]methanamine (PubChem CID 143835017) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is N-[(E)-1-(4-chlorophenyl)prop-2-enylideneamino]methanamine.

Molecular Properties

Compound NameN-[(E)-1-(4-chlorophenyl)prop-2-enylideneamino]methanamine
PubChem CID143835017
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC NameN-[(E)-1-(4-chlorophenyl)prop-2-enylideneamino]methanamine
SMILESC=C/C(=N\NC)c1ccc(Cl)cc1
InChIInChI=1S/C10H11ClN2/c1-3-10(13-12-2)8-4-6-9(11)7-5-8/h3-7,12H,1H2,2H3/b13-10+
InChIKeyKTVKOLUTGBGKPI-JLHYYAGUSA-N
XLogP2.45
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-chlorophenyl)prop-2-enylideneamino]methanamine?
The IUPAC name of N-[(E)-1-(4-chlorophenyl)prop-2-enylideneamino]methanamine (CID 143835017) is N-[(E)-1-(4-chlorophenyl)prop-2-enylideneamino]methanamine.
What is the SMILES notation for N-[(E)-1-(4-chlorophenyl)prop-2-enylideneamino]methanamine?
The canonical SMILES for N-[(E)-1-(4-chlorophenyl)prop-2-enylideneamino]methanamine is C=C/C(=N\NC)c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-1-(4-chlorophenyl)prop-2-enylideneamino]methanamine?
The InChIKey is KTVKOLUTGBGKPI-JLHYYAGUSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-3-10(13-12-2)8-4-6-9(11)7-5-8/h3-7,12H,1H2,2H3/b13-10+.
What are the key properties of N-[(E)-1-(4-chlorophenyl)prop-2-enylideneamino]methanamine?
N-[(E)-1-(4-chlorophenyl)prop-2-enylideneamino]methanamine has a molecular weight of 194.66 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-chlorophenyl)prop-2-enylideneamino]methanamine is sourced from PubChem (CID 143835017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).