N-[(E)-benzylideneamino]-3-chloro-N-prop-2-enylaniline

C16H15ClN2 — CID 10612142

IUPACN-[(E)-benzylideneamino]-3-chloro-N-prop-2-enylaniline
SMILESC=CCN(/N=C/c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2/c1-2-11-19(16-10-6-9-15(17)12-16)18-13-14-7-4-3-5-8-14/h2-10,12-13H,1,11H2/b18-13+
InChIKeyAFCGOPHZHHBAIY-QGOAFFKASA-N
MW270.76 g/mol
LogP4.37
Rot. Bonds5

About N-[(E)-benzylideneamino]-3-chloro-N-prop-2-enylaniline

N-[(E)-benzylideneamino]-3-chloro-N-prop-2-enylaniline (PubChem CID 10612142) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-3-chloro-N-prop-2-enylaniline.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-3-chloro-N-prop-2-enylaniline
PubChem CID10612142
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC NameN-[(E)-benzylideneamino]-3-chloro-N-prop-2-enylaniline
SMILESC=CCN(/N=C/c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2/c1-2-11-19(16-10-6-9-15(17)12-16)18-13-14-7-4-3-5-8-14/h2-10,12-13H,1,11H2/b18-13+
InChIKeyAFCGOPHZHHBAIY-QGOAFFKASA-N
XLogP4.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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)-benzylideneamino]-3-chloro-N-prop-2-enylaniline?
The IUPAC name of N-[(E)-benzylideneamino]-3-chloro-N-prop-2-enylaniline (CID 10612142) is N-[(E)-benzylideneamino]-3-chloro-N-prop-2-enylaniline.
What is the SMILES notation for N-[(E)-benzylideneamino]-3-chloro-N-prop-2-enylaniline?
The canonical SMILES for N-[(E)-benzylideneamino]-3-chloro-N-prop-2-enylaniline is C=CCN(/N=C/c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of N-[(E)-benzylideneamino]-3-chloro-N-prop-2-enylaniline?
The InChIKey is AFCGOPHZHHBAIY-QGOAFFKASA-N. The full InChI is InChI=1S/C16H15ClN2/c1-2-11-19(16-10-6-9-15(17)12-16)18-13-14-7-4-3-5-8-14/h2-10,12-13H,1,11H2/b18-13+.
What are the key properties of N-[(E)-benzylideneamino]-3-chloro-N-prop-2-enylaniline?
N-[(E)-benzylideneamino]-3-chloro-N-prop-2-enylaniline has a molecular weight of 270.76 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-3-chloro-N-prop-2-enylaniline is sourced from PubChem (CID 10612142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).