(3E)-3-amino-3-[(6E)-4-fluoro-6-(4-phenylbutan-2-ylidene)cyclohexa-2,4-dien-1-ylidene]prop-1-en-2-ol

C19H20FNO — CID 143606087

IUPAC(3E)-3-amino-3-[(6E)-4-fluoro-6-(4-phenylbutan-2-ylidene)cyclohexa-2,4-dien-1-ylidene]prop-1-en-2-ol
SMILESC=C(O)/C(N)=c1/ccc(F)c/c1=C(/C)CCc1ccccc1
InChIInChI=1S/C19H20FNO/c1-13(8-9-15-6-4-3-5-7-15)18-12-16(20)10-11-17(18)19(21)14(2)22/h3-7,10-12,22H,2,8-9,21H2,1H3/b18-13+,19-17+
InChIKeyREZAZYSMFSHFMG-JYRUFNGFSA-N
MW297.37 g/mol
LogP2.77
Rot. Bonds4

About (3E)-3-amino-3-[(6E)-4-fluoro-6-(4-phenylbutan-2-ylidene)cyclohexa-2,4-dien-1-ylidene]prop-1-en-2-ol

(3E)-3-amino-3-[(6E)-4-fluoro-6-(4-phenylbutan-2-ylidene)cyclohexa-2,4-dien-1-ylidene]prop-1-en-2-ol (PubChem CID 143606087) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is (3E)-3-amino-3-[(6E)-4-fluoro-6-(4-phenylbutan-2-ylidene)cyclohexa-2,4-dien-1-ylidene]prop-1-en-2-ol.

Molecular Properties

Compound Name(3E)-3-amino-3-[(6E)-4-fluoro-6-(4-phenylbutan-2-ylidene)cyclohexa-2,4-dien-1-ylidene]prop-1-en-2-ol
PubChem CID143606087
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name(3E)-3-amino-3-[(6E)-4-fluoro-6-(4-phenylbutan-2-ylidene)cyclohexa-2,4-dien-1-ylidene]prop-1-en-2-ol
SMILESC=C(O)/C(N)=c1/ccc(F)c/c1=C(/C)CCc1ccccc1
InChIInChI=1S/C19H20FNO/c1-13(8-9-15-6-4-3-5-7-15)18-12-16(20)10-11-17(18)19(21)14(2)22/h3-7,10-12,22H,2,8-9,21H2,1H3/b18-13+,19-17+
InChIKeyREZAZYSMFSHFMG-JYRUFNGFSA-N
XLogP2.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (3E)-3-amino-3-[(6E)-4-fluoro-6-(4-phenylbutan-2-ylidene)cyclohexa-2,4-dien-1-ylidene]prop-1-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Hydroxy-4-aminobiphenyl
CID 69193415
p-Benzyliden-aminophenol
CID 129655793
6-Amino-6-fluoro-3-phenylcyclohexa-2,4-dien-1-ol
CID 69587457
(5E)-5-[(3Z,5E,7Z)-4-amino-5-ethylnona-3,5,7-trien-2-ylidene]-3-(3-fluorophenyl)cyclohexa-1,3-dien-1-ol
CID 89347905
(1Z,3Z)-1-amino-1-fluoro-5-[4-(4-methylcyclohexyl)phenyl]hexa-1,3-dien-2-ol
CID 141794690
(3Z,5E,7Z,9E)-7-amino-10-(3-fluorophenyl)undeca-3,5,7,9-tetraen-2-ol
CID 143025696
2-Amino-1,3-difluoro-5-phenylcyclohexa-2,4-dien-1-ol
CID 151280476
2-Amino-1-fluoro-5-phenylcyclohexa-2,4-dien-1-ol
CID 175328722
6-Amino-4-benzylidenecyclohexa-1,5-dien-1-ol
CID 89465150
(3Z,5E)-7-amino-6-methyl-3-phenylhepta-1,3,5-trien-4-ol
CID 143496867
(3E)-5-amino-6-methylhepta-1,3,5-trien-4-ol;ethane;toluene
CID 145556784
(3Z)-3-amino-3-[(3E,4Z)-3,4-di(ethylidene)-1-methylidenenaphthalen-2-ylidene]prop-1-en-2-ol;ethane
CID 153344723

Frequently Asked Questions

What is the IUPAC name of (3E)-3-amino-3-[(6E)-4-fluoro-6-(4-phenylbutan-2-ylidene)cyclohexa-2,4-dien-1-ylidene]prop-1-en-2-ol?
The IUPAC name of (3E)-3-amino-3-[(6E)-4-fluoro-6-(4-phenylbutan-2-ylidene)cyclohexa-2,4-dien-1-ylidene]prop-1-en-2-ol (CID 143606087) is (3E)-3-amino-3-[(6E)-4-fluoro-6-(4-phenylbutan-2-ylidene)cyclohexa-2,4-dien-1-ylidene]prop-1-en-2-ol.
What is the SMILES notation for (3E)-3-amino-3-[(6E)-4-fluoro-6-(4-phenylbutan-2-ylidene)cyclohexa-2,4-dien-1-ylidene]prop-1-en-2-ol?
The canonical SMILES for (3E)-3-amino-3-[(6E)-4-fluoro-6-(4-phenylbutan-2-ylidene)cyclohexa-2,4-dien-1-ylidene]prop-1-en-2-ol is C=C(O)/C(N)=c1/ccc(F)c/c1=C(/C)CCc1ccccc1.
What is the InChIKey of (3E)-3-amino-3-[(6E)-4-fluoro-6-(4-phenylbutan-2-ylidene)cyclohexa-2,4-dien-1-ylidene]prop-1-en-2-ol?
The InChIKey is REZAZYSMFSHFMG-JYRUFNGFSA-N. The full InChI is InChI=1S/C19H20FNO/c1-13(8-9-15-6-4-3-5-7-15)18-12-16(20)10-11-17(18)19(21)14(2)22/h3-7,10-12,22H,2,8-9,21H2,1H3/b18-13+,19-17+.
What are the key properties of (3E)-3-amino-3-[(6E)-4-fluoro-6-(4-phenylbutan-2-ylidene)cyclohexa-2,4-dien-1-ylidene]prop-1-en-2-ol?
(3E)-3-amino-3-[(6E)-4-fluoro-6-(4-phenylbutan-2-ylidene)cyclohexa-2,4-dien-1-ylidene]prop-1-en-2-ol has a molecular weight of 297.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-amino-3-[(6E)-4-fluoro-6-(4-phenylbutan-2-ylidene)cyclohexa-2,4-dien-1-ylidene]prop-1-en-2-ol is sourced from PubChem (CID 143606087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).