N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-3,4-dichloro-N-propan-2-ylaniline

C17H18Cl3N3 — CID 89327166

IUPACN-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-3,4-dichloro-N-propan-2-ylaniline
SMILESC/C(=N\N(c1ccc(Cl)c(Cl)c1)C(C)C)c1cc(Cl)ccc1N
InChIInChI=1S/C17H18Cl3N3/c1-10(2)23(13-5-6-15(19)16(20)9-13)22-11(3)14-8-12(18)4-7-17(14)21/h4-10H,21H2,1-3H3/b22-11+
InChIKeyXVFNSBOMDYGKCU-SSDVNMTOSA-N
MW370.71 g/mol
LogP5.87
Rot. Bonds4

About N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-3,4-dichloro-N-propan-2-ylaniline

N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-3,4-dichloro-N-propan-2-ylaniline (PubChem CID 89327166) has the molecular formula C17H18Cl3N3 and a molecular weight of 370.71 g/mol. Its IUPAC name is N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-3,4-dichloro-N-propan-2-ylaniline.

Molecular Properties

Compound NameN-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-3,4-dichloro-N-propan-2-ylaniline
PubChem CID89327166
Molecular FormulaC17H18Cl3N3
Molecular Weight370.71 g/mol
Exact Mass369.06
IUPAC NameN-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-3,4-dichloro-N-propan-2-ylaniline
SMILESC/C(=N\N(c1ccc(Cl)c(Cl)c1)C(C)C)c1cc(Cl)ccc1N
InChIInChI=1S/C17H18Cl3N3/c1-10(2)23(13-5-6-15(19)16(20)9-13)22-11(3)14-8-12(18)4-7-17(14)21/h4-10H,21H2,1-3H3/b22-11+
InChIKeyXVFNSBOMDYGKCU-SSDVNMTOSA-N
XLogP5.87
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.71
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-(2-amino-5-chlorophenyl)ethylideneamino]-3,4-dichloro-N-propan-2-ylaniline?
The IUPAC name of N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-3,4-dichloro-N-propan-2-ylaniline (CID 89327166) is N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-3,4-dichloro-N-propan-2-ylaniline.
What is the SMILES notation for N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-3,4-dichloro-N-propan-2-ylaniline?
The canonical SMILES for N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-3,4-dichloro-N-propan-2-ylaniline is C/C(=N\N(c1ccc(Cl)c(Cl)c1)C(C)C)c1cc(Cl)ccc1N.
What is the InChIKey of N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-3,4-dichloro-N-propan-2-ylaniline?
The InChIKey is XVFNSBOMDYGKCU-SSDVNMTOSA-N. The full InChI is InChI=1S/C17H18Cl3N3/c1-10(2)23(13-5-6-15(19)16(20)9-13)22-11(3)14-8-12(18)4-7-17(14)21/h4-10H,21H2,1-3H3/b22-11+.
What are the key properties of N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-3,4-dichloro-N-propan-2-ylaniline?
N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-3,4-dichloro-N-propan-2-ylaniline has a molecular weight of 370.71 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-amino-5-chlorophenyl)ethylideneamino]-3,4-dichloro-N-propan-2-ylaniline is sourced from PubChem (CID 89327166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).