(3Z)-4-(N-aminoanilino)-4-[3-(2,2,2-trifluoroethoxymethyl)phenyl]buta-1,3-dien-2-amine

C19H20F3N3O — CID 89424301

IUPAC(3Z)-4-(N-aminoanilino)-4-[3-(2,2,2-trifluoroethoxymethyl)phenyl]buta-1,3-dien-2-amine
SMILESC=C(N)/C=C(/c1cccc(COCC(F)(F)F)c1)N(N)c1ccccc1
InChIInChI=1S/C19H20F3N3O/c1-14(23)10-18(25(24)17-8-3-2-4-9-17)16-7-5-6-15(11-16)12-26-13-19(20,21)22/h2-11H,1,12-13,23-24H2/b18-10-
InChIKeyGLYNESFNSIAAQV-ZDLGFXPLSA-N
MW363.38 g/mol
LogP3.96
Rot. Bonds7

About (3Z)-4-(N-aminoanilino)-4-[3-(2,2,2-trifluoroethoxymethyl)phenyl]buta-1,3-dien-2-amine

(3Z)-4-(N-aminoanilino)-4-[3-(2,2,2-trifluoroethoxymethyl)phenyl]buta-1,3-dien-2-amine (PubChem CID 89424301) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is (3Z)-4-(N-aminoanilino)-4-[3-(2,2,2-trifluoroethoxymethyl)phenyl]buta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-4-(N-aminoanilino)-4-[3-(2,2,2-trifluoroethoxymethyl)phenyl]buta-1,3-dien-2-amine
PubChem CID89424301
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name(3Z)-4-(N-aminoanilino)-4-[3-(2,2,2-trifluoroethoxymethyl)phenyl]buta-1,3-dien-2-amine
SMILESC=C(N)/C=C(/c1cccc(COCC(F)(F)F)c1)N(N)c1ccccc1
InChIInChI=1S/C19H20F3N3O/c1-14(23)10-18(25(24)17-8-3-2-4-9-17)16-7-5-6-15(11-16)12-26-13-19(20,21)22/h2-11H,1,12-13,23-24H2/b18-10-
InChIKeyGLYNESFNSIAAQV-ZDLGFXPLSA-N
XLogP3.96
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.96
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-(N-aminoanilino)-4-[3-(2,2,2-trifluoroethoxymethyl)phenyl]buta-1,3-dien-2-amine?
The IUPAC name of (3Z)-4-(N-aminoanilino)-4-[3-(2,2,2-trifluoroethoxymethyl)phenyl]buta-1,3-dien-2-amine (CID 89424301) is (3Z)-4-(N-aminoanilino)-4-[3-(2,2,2-trifluoroethoxymethyl)phenyl]buta-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-4-(N-aminoanilino)-4-[3-(2,2,2-trifluoroethoxymethyl)phenyl]buta-1,3-dien-2-amine?
The canonical SMILES for (3Z)-4-(N-aminoanilino)-4-[3-(2,2,2-trifluoroethoxymethyl)phenyl]buta-1,3-dien-2-amine is C=C(N)/C=C(/c1cccc(COCC(F)(F)F)c1)N(N)c1ccccc1.
What is the InChIKey of (3Z)-4-(N-aminoanilino)-4-[3-(2,2,2-trifluoroethoxymethyl)phenyl]buta-1,3-dien-2-amine?
The InChIKey is GLYNESFNSIAAQV-ZDLGFXPLSA-N. The full InChI is InChI=1S/C19H20F3N3O/c1-14(23)10-18(25(24)17-8-3-2-4-9-17)16-7-5-6-15(11-16)12-26-13-19(20,21)22/h2-11H,1,12-13,23-24H2/b18-10-.
What are the key properties of (3Z)-4-(N-aminoanilino)-4-[3-(2,2,2-trifluoroethoxymethyl)phenyl]buta-1,3-dien-2-amine?
(3Z)-4-(N-aminoanilino)-4-[3-(2,2,2-trifluoroethoxymethyl)phenyl]buta-1,3-dien-2-amine has a molecular weight of 363.38 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-(N-aminoanilino)-4-[3-(2,2,2-trifluoroethoxymethyl)phenyl]buta-1,3-dien-2-amine is sourced from PubChem (CID 89424301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).