(2R)-2-[1-(3-fluorophenyl)propylideneamino]-3-methylbutan-1-ol

C14H20FNO — CID 58736091

IUPAC(2R)-2-[1-(3-fluorophenyl)propylideneamino]-3-methylbutan-1-ol
SMILESCC/C(=N\[C@@H](CO)C(C)C)c1cccc(F)c1
InChIInChI=1S/C14H20FNO/c1-4-13(16-14(9-17)10(2)3)11-6-5-7-12(15)8-11/h5-8,10,14,17H,4,9H2,1-3H3/b16-13+/t14-/m0/s1
InChIKeyFQNZYOCGLMJDET-BXWAGETQSA-N
MW237.32 g/mol
LogP3.04
Rot. Bonds5

About (2R)-2-[1-(3-fluorophenyl)propylideneamino]-3-methylbutan-1-ol

(2R)-2-[1-(3-fluorophenyl)propylideneamino]-3-methylbutan-1-ol (PubChem CID 58736091) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is (2R)-2-[1-(3-fluorophenyl)propylideneamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-[1-(3-fluorophenyl)propylideneamino]-3-methylbutan-1-ol
PubChem CID58736091
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name(2R)-2-[1-(3-fluorophenyl)propylideneamino]-3-methylbutan-1-ol
SMILESCC/C(=N\[C@@H](CO)C(C)C)c1cccc(F)c1
InChIInChI=1S/C14H20FNO/c1-4-13(16-14(9-17)10(2)3)11-6-5-7-12(15)8-11/h5-8,10,14,17H,4,9H2,1-3H3/b16-13+/t14-/m0/s1
InChIKeyFQNZYOCGLMJDET-BXWAGETQSA-N
XLogP3.04
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.04
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

(3-Phenyl-2H-aziren-2-yl)methanol
CID 318519
(S)-2-(Benzylideneamino)-3-methylbutan-1-ol
CID 10726389
2-[(2-Fluorophenyl)methylideneamino]-2-methylpropan-1-ol
CID 272297
2-{(E)-[(3-Fluorophenyl)methylidene]amino}-2-methylpropan-1-ol
CID 272298
2-Ethoxy-N-(2-methyl-1-phenylpropylidene)ethanamine
CID 14402796
2-[(3-Fluorophenyl)methylideneamino]-3-methylbutan-1-ol
CID 20795525
(2S)-2-[(2,4-difluorobenzylidene)-amino]-4-methylpentan-1-ol
CID 57446953
2-[(2,4-Difluorobenzylidene)-amino]-4-methylpentan-1-ol
CID 57446954
(S)-2-[(4-Fluorobenzylidene)-amino]-4-methylpentan-1-ol
CID 57515778
(2S)-2-[(2-fluorophenyl)methylideneamino]-3-methylbutan-1-ol
CID 58900118
(S)-2-[(3-Fluorobenzylidene)amino]-3-methylbutan-1-ol
CID 58900122
2-[(4-Fluorobenzylidene)-amino]-4-methylpentan-1-ol
CID 67298395

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(3-fluorophenyl)propylideneamino]-3-methylbutan-1-ol?
The IUPAC name of (2R)-2-[1-(3-fluorophenyl)propylideneamino]-3-methylbutan-1-ol (CID 58736091) is (2R)-2-[1-(3-fluorophenyl)propylideneamino]-3-methylbutan-1-ol.
What is the SMILES notation for (2R)-2-[1-(3-fluorophenyl)propylideneamino]-3-methylbutan-1-ol?
The canonical SMILES for (2R)-2-[1-(3-fluorophenyl)propylideneamino]-3-methylbutan-1-ol is CC/C(=N\[C@@H](CO)C(C)C)c1cccc(F)c1.
What is the InChIKey of (2R)-2-[1-(3-fluorophenyl)propylideneamino]-3-methylbutan-1-ol?
The InChIKey is FQNZYOCGLMJDET-BXWAGETQSA-N. The full InChI is InChI=1S/C14H20FNO/c1-4-13(16-14(9-17)10(2)3)11-6-5-7-12(15)8-11/h5-8,10,14,17H,4,9H2,1-3H3/b16-13+/t14-/m0/s1.
What are the key properties of (2R)-2-[1-(3-fluorophenyl)propylideneamino]-3-methylbutan-1-ol?
(2R)-2-[1-(3-fluorophenyl)propylideneamino]-3-methylbutan-1-ol has a molecular weight of 237.32 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(3-fluorophenyl)propylideneamino]-3-methylbutan-1-ol is sourced from PubChem (CID 58736091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).