N-[(Z)-2-chloro-3-(4-methylphenyl)iminoprop-1-enyl]-4-methylaniline

C17H17ClN2 — CID 14710111

IUPACN-[(Z)-2-chloro-3-(4-methylphenyl)iminoprop-1-enyl]-4-methylaniline
SMILESCc1ccc(/N=C/C(Cl)=C/Nc2ccc(C)cc2)cc1
InChIInChI=1S/C17H17ClN2/c1-13-3-7-16(8-4-13)19-11-15(18)12-20-17-9-5-14(2)6-10-17/h3-12,19H,1-2H3/b15-11-,20-12+
InChIKeyZTSVFSZTUQRHLQ-JABDDIKQSA-N
MW284.79 g/mol
LogP5.20
Rot. Bonds4

About N-[(Z)-2-chloro-3-(4-methylphenyl)iminoprop-1-enyl]-4-methylaniline

N-[(Z)-2-chloro-3-(4-methylphenyl)iminoprop-1-enyl]-4-methylaniline (PubChem CID 14710111) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-[(Z)-2-chloro-3-(4-methylphenyl)iminoprop-1-enyl]-4-methylaniline.

Molecular Properties

Compound NameN-[(Z)-2-chloro-3-(4-methylphenyl)iminoprop-1-enyl]-4-methylaniline
PubChem CID14710111
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC NameN-[(Z)-2-chloro-3-(4-methylphenyl)iminoprop-1-enyl]-4-methylaniline
SMILESCc1ccc(/N=C/C(Cl)=C/Nc2ccc(C)cc2)cc1
InChIInChI=1S/C17H17ClN2/c1-13-3-7-16(8-4-13)19-11-15(18)12-20-17-9-5-14(2)6-10-17/h3-12,19H,1-2H3/b15-11-,20-12+
InChIKeyZTSVFSZTUQRHLQ-JABDDIKQSA-N
XLogP5.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.79
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-chloro-3-(4-methylphenyl)iminoprop-1-enyl]-4-methylaniline?
The IUPAC name of N-[(Z)-2-chloro-3-(4-methylphenyl)iminoprop-1-enyl]-4-methylaniline (CID 14710111) is N-[(Z)-2-chloro-3-(4-methylphenyl)iminoprop-1-enyl]-4-methylaniline.
What is the SMILES notation for N-[(Z)-2-chloro-3-(4-methylphenyl)iminoprop-1-enyl]-4-methylaniline?
The canonical SMILES for N-[(Z)-2-chloro-3-(4-methylphenyl)iminoprop-1-enyl]-4-methylaniline is Cc1ccc(/N=C/C(Cl)=C/Nc2ccc(C)cc2)cc1.
What is the InChIKey of N-[(Z)-2-chloro-3-(4-methylphenyl)iminoprop-1-enyl]-4-methylaniline?
The InChIKey is ZTSVFSZTUQRHLQ-JABDDIKQSA-N. The full InChI is InChI=1S/C17H17ClN2/c1-13-3-7-16(8-4-13)19-11-15(18)12-20-17-9-5-14(2)6-10-17/h3-12,19H,1-2H3/b15-11-,20-12+.
What are the key properties of N-[(Z)-2-chloro-3-(4-methylphenyl)iminoprop-1-enyl]-4-methylaniline?
N-[(Z)-2-chloro-3-(4-methylphenyl)iminoprop-1-enyl]-4-methylaniline has a molecular weight of 284.79 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-chloro-3-(4-methylphenyl)iminoprop-1-enyl]-4-methylaniline is sourced from PubChem (CID 14710111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).