(Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol

C14H18FNO — CID 177218692

IUPAC(Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol
SMILESC/C=C(\N=C\CC)C(O)c1cccc(F)c1C
InChIInChI=1S/C14H18FNO/c1-4-9-16-13(5-2)14(17)11-7-6-8-12(15)10(11)3/h5-9,14,17H,4H2,1-3H3/b13-5-,16-9+
InChIKeyOBIVBXSHJBBOEQ-PUOQASTGSA-N
MW235.30 g/mol
LogP3.55
Rot. Bonds4

About (Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol

(Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol (PubChem CID 177218692) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is (Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol.

Molecular Properties

Compound Name(Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol
PubChem CID177218692
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name(Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol
SMILESC/C=C(\N=C\CC)C(O)c1cccc(F)c1C
InChIInChI=1S/C14H18FNO/c1-4-9-16-13(5-2)14(17)11-7-6-8-12(15)10(11)3/h5-9,14,17H,4H2,1-3H3/b13-5-,16-9+
InChIKeyOBIVBXSHJBBOEQ-PUOQASTGSA-N
XLogP3.55
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(3-fluoro-2-methylphenyl)ethanol
CID 83695306
1-[(2R)-butan-2-yl]-3-fluoro-2-methylbenzene
CID 139403065
(1R)-1-(3-fluoro-2-methylphenyl)propan-1-amine
CID 45072383
3-chloro-1-(3-fluoro-2-methylphenyl)propane-1,2-diol
CID 171861581
(1R,2S)-2-amino-1-cyclopropyl-2-(3-fluoro-2-methylphenyl)ethanol;hydrochloride
CID 171267747
(1S)-2,2-difluoro-1-(3-fluoro-2-methylphenyl)ethanamine
CID 130700725
1-(3-fluoro-2-methylphenyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 150617333
(1S,2R)-1-amino-1-(3-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-ol
CID 171267756
4-amino-1-(3-fluoro-2-methylphenyl)butane-1,2-diol
CID 171880803
ethyl (3S)-3-amino-2-fluoro-3-(3-fluoro-2-methylphenyl)propanoate;hydrochloride
CID 171247677
(1S)-1-(3-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 55253692
(2S,3S)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methylphenyl)propan-2-ol;hydrochloride
CID 171267758

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol?
The IUPAC name of (Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol (CID 177218692) is (Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol.
What is the SMILES notation for (Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol?
The canonical SMILES for (Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol is C/C=C(\N=C\CC)C(O)c1cccc(F)c1C.
What is the InChIKey of (Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol?
The InChIKey is OBIVBXSHJBBOEQ-PUOQASTGSA-N. The full InChI is InChI=1S/C14H18FNO/c1-4-9-16-13(5-2)14(17)11-7-6-8-12(15)10(11)3/h5-9,14,17H,4H2,1-3H3/b13-5-,16-9+.
What are the key properties of (Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol?
(Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol has a molecular weight of 235.30 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-fluoro-2-methylphenyl)-2-(propylideneamino)but-2-en-1-ol is sourced from PubChem (CID 177218692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).