(E)-1-amino-1-(4-fluorophenyl)-3-methyliminobut-1-en-2-ol

C11H13FN2O — CID 177057316

IUPAC(E)-1-amino-1-(4-fluorophenyl)-3-methyliminobut-1-en-2-ol
SMILESC/N=C(C)/C(O)=C(\N)c1ccc(F)cc1
InChIInChI=1S/C11H13FN2O/c1-7(14-2)11(15)10(13)8-3-5-9(12)6-4-8/h3-6,15H,13H2,1-2H3/b11-10+,14-7+
InChIKeyXQXJGPGUUGKCPE-QFPWAJRASA-N
MW208.24 g/mol
LogP2.10
Rot. Bonds2

About (E)-1-amino-1-(4-fluorophenyl)-3-methyliminobut-1-en-2-ol

(E)-1-amino-1-(4-fluorophenyl)-3-methyliminobut-1-en-2-ol (PubChem CID 177057316) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is (E)-1-amino-1-(4-fluorophenyl)-3-methyliminobut-1-en-2-ol.

Molecular Properties

Compound Name(E)-1-amino-1-(4-fluorophenyl)-3-methyliminobut-1-en-2-ol
PubChem CID177057316
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name(E)-1-amino-1-(4-fluorophenyl)-3-methyliminobut-1-en-2-ol
SMILESC/N=C(C)/C(O)=C(\N)c1ccc(F)cc1
InChIInChI=1S/C11H13FN2O/c1-7(14-2)11(15)10(13)8-3-5-9(12)6-4-8/h3-6,15H,13H2,1-2H3/b11-10+,14-7+
InChIKeyXQXJGPGUUGKCPE-QFPWAJRASA-N
XLogP2.10
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-5-phenyl-5-(trifluoromethyl)pyrrol-3-ol
CID 134963679
2-Chloro-1-(4-fluorophenyl)-3-methyliminobut-1-en-1-amine
CID 146821333
3-[(2-Fluorophenyl)methylimino]-4-methyl-6-methylidenenon-4-en-5-amine
CID 173765899
5-[(2-Fluorophenyl)methylimino]-4-methylhepta-1,3-dien-3-amine
CID 173765930
4-[(2-Fluorophenyl)methylimino]pent-2-en-2-amine
CID 173863470
(E)-1-amino-3-methylimino-1-[4-(trifluoromethyl)phenyl]but-1-en-2-ol
CID 177057317
(E)-3,3,3-trifluoro-1-phenyl-1-(propan-2-ylideneamino)prop-1-en-2-ol
CID 132542565
propan-2-ylidene-[(E)-3,3,3-trifluoro-2-hydroxy-1-phenylprop-1-enyl]azanium
CID 132542567
(Z)-1-(methylideneamino)-1-(2,4,5-trifluorophenyl)but-1-en-2-ol
CID 143183489
3-[(1E,3Z,5Z)-1-(4-fluorophenyl)-2-methylhepta-1,3,5-trienyl]iminobut-1-en-2-amine
CID 143721783
(2R,3Z,5Z)-3-[C-[2-amino-2-(2-fluorophenyl)ethenyl]-N-methylcarbonimidoyl]hepta-3,5-dien-2-ol
CID 144562630
2-Chloro-1-(2-fluorophenyl)-3-methyliminobut-1-en-1-amine
CID 163561088

Frequently Asked Questions

What is the IUPAC name of (E)-1-amino-1-(4-fluorophenyl)-3-methyliminobut-1-en-2-ol?
The IUPAC name of (E)-1-amino-1-(4-fluorophenyl)-3-methyliminobut-1-en-2-ol (CID 177057316) is (E)-1-amino-1-(4-fluorophenyl)-3-methyliminobut-1-en-2-ol.
What is the SMILES notation for (E)-1-amino-1-(4-fluorophenyl)-3-methyliminobut-1-en-2-ol?
The canonical SMILES for (E)-1-amino-1-(4-fluorophenyl)-3-methyliminobut-1-en-2-ol is C/N=C(C)/C(O)=C(\N)c1ccc(F)cc1.
What is the InChIKey of (E)-1-amino-1-(4-fluorophenyl)-3-methyliminobut-1-en-2-ol?
The InChIKey is XQXJGPGUUGKCPE-QFPWAJRASA-N. The full InChI is InChI=1S/C11H13FN2O/c1-7(14-2)11(15)10(13)8-3-5-9(12)6-4-8/h3-6,15H,13H2,1-2H3/b11-10+,14-7+.
What are the key properties of (E)-1-amino-1-(4-fluorophenyl)-3-methyliminobut-1-en-2-ol?
(E)-1-amino-1-(4-fluorophenyl)-3-methyliminobut-1-en-2-ol has a molecular weight of 208.24 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-amino-1-(4-fluorophenyl)-3-methyliminobut-1-en-2-ol is sourced from PubChem (CID 177057316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).