(Z)-2-[N-amino-2-(2-chlorophenoxy)anilino]-2-(2-chlorophenyl)ethenamine

C20H17Cl2N3O — CID 144756210

IUPAC(Z)-2-[N-amino-2-(2-chlorophenoxy)anilino]-2-(2-chlorophenyl)ethenamine
SMILESN/C=C(/c1ccccc1Cl)N(N)c1ccccc1Oc1ccccc1Cl
InChIInChI=1S/C20H17Cl2N3O/c21-15-8-2-1-7-14(15)18(13-23)25(24)17-10-4-6-12-20(17)26-19-11-5-3-9-16(19)22/h1-13H,23-24H2/b18-13-
InChIKeyPSAXSDQTCMJVCW-AQTBWJFISA-N
MW386.28 g/mol
LogP5.42
Rot. Bonds5

About (Z)-2-[N-amino-2-(2-chlorophenoxy)anilino]-2-(2-chlorophenyl)ethenamine

(Z)-2-[N-amino-2-(2-chlorophenoxy)anilino]-2-(2-chlorophenyl)ethenamine (PubChem CID 144756210) has the molecular formula C20H17Cl2N3O and a molecular weight of 386.28 g/mol. Its IUPAC name is (Z)-2-[N-amino-2-(2-chlorophenoxy)anilino]-2-(2-chlorophenyl)ethenamine.

Molecular Properties

Compound Name(Z)-2-[N-amino-2-(2-chlorophenoxy)anilino]-2-(2-chlorophenyl)ethenamine
PubChem CID144756210
Molecular FormulaC20H17Cl2N3O
Molecular Weight386.28 g/mol
Exact Mass385.07
IUPAC Name(Z)-2-[N-amino-2-(2-chlorophenoxy)anilino]-2-(2-chlorophenyl)ethenamine
SMILESN/C=C(/c1ccccc1Cl)N(N)c1ccccc1Oc1ccccc1Cl
InChIInChI=1S/C20H17Cl2N3O/c21-15-8-2-1-7-14(15)18(13-23)25(24)17-10-4-6-12-20(17)26-19-11-5-3-9-16(19)22/h1-13H,23-24H2/b18-13-
InChIKeyPSAXSDQTCMJVCW-AQTBWJFISA-N
XLogP5.42
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-[amino-[4-(2,5-dichlorophenoxy)-3-pyridinyl]amino]-2-(2-chlorophenyl)ethenamine
CID 144756209
[2-(2-chlorophenoxy)phenyl]-trifluoroboranuide
CID 134969545
2-(2-chlorophenoxy)benzoyl fluoride
CID 91803737
2-chloro-6-(2-chlorophenoxy)phenol
CID 101247244
4-(2-chlorophenoxy)pyridin-3-amine
CID 28890150
azane;1-chloro-2-phenoxybenzene
CID 68980819
2-(2-chlorophenoxy)-6-fluoroaniline
CID 60790440
2-(3-chloro-2-formylphenoxy)benzamide
CID 28603903
2-(2-chlorophenyl)prop-1-en-1-amine
CID 174405971
[2-chloro-6-(2-chlorophenoxy)phenyl]methanamine
CID 28966120
2-(2-chlorophenoxy)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 55232502
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[N-amino-2-(2-chlorophenoxy)anilino]-2-(2-chlorophenyl)ethenamine?
The IUPAC name of (Z)-2-[N-amino-2-(2-chlorophenoxy)anilino]-2-(2-chlorophenyl)ethenamine (CID 144756210) is (Z)-2-[N-amino-2-(2-chlorophenoxy)anilino]-2-(2-chlorophenyl)ethenamine.
What is the SMILES notation for (Z)-2-[N-amino-2-(2-chlorophenoxy)anilino]-2-(2-chlorophenyl)ethenamine?
The canonical SMILES for (Z)-2-[N-amino-2-(2-chlorophenoxy)anilino]-2-(2-chlorophenyl)ethenamine is N/C=C(/c1ccccc1Cl)N(N)c1ccccc1Oc1ccccc1Cl.
What is the InChIKey of (Z)-2-[N-amino-2-(2-chlorophenoxy)anilino]-2-(2-chlorophenyl)ethenamine?
The InChIKey is PSAXSDQTCMJVCW-AQTBWJFISA-N. The full InChI is InChI=1S/C20H17Cl2N3O/c21-15-8-2-1-7-14(15)18(13-23)25(24)17-10-4-6-12-20(17)26-19-11-5-3-9-16(19)22/h1-13H,23-24H2/b18-13-.
What are the key properties of (Z)-2-[N-amino-2-(2-chlorophenoxy)anilino]-2-(2-chlorophenyl)ethenamine?
(Z)-2-[N-amino-2-(2-chlorophenoxy)anilino]-2-(2-chlorophenyl)ethenamine has a molecular weight of 386.28 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[N-amino-2-(2-chlorophenoxy)anilino]-2-(2-chlorophenyl)ethenamine is sourced from PubChem (CID 144756210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).