(2R)-2-[(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-phenylethanol

C18H18FNO — CID 101111276

IUPAC(2R)-2-[(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-phenylethanol
SMILESOC[C@H](/N=C1\CCCc2ccc(F)cc21)c1ccccc1
InChIInChI=1S/C18H18FNO/c19-15-10-9-13-7-4-8-17(16(13)11-15)20-18(12-21)14-5-2-1-3-6-14/h1-3,5-6,9-11,18,21H,4,7-8,12H2/b20-17+/t18-/m0/s1
InChIKeyGACSATKSXPYLMZ-ONZPZFSWSA-N
MW283.35 g/mol
LogP3.68
Rot. Bonds3

About (2R)-2-[(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-phenylethanol

(2R)-2-[(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-phenylethanol (PubChem CID 101111276) has the molecular formula C18H18FNO and a molecular weight of 283.35 g/mol. Its IUPAC name is (2R)-2-[(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-phenylethanol
PubChem CID101111276
Molecular FormulaC18H18FNO
Molecular Weight283.35 g/mol
Exact Mass283.14
IUPAC Name(2R)-2-[(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-phenylethanol
SMILESOC[C@H](/N=C1\CCCc2ccc(F)cc21)c1ccccc1
InChIInChI=1S/C18H18FNO/c19-15-10-9-13-7-4-8-17(16(13)11-15)20-18(12-21)14-5-2-1-3-6-14/h1-3,5-6,9-11,18,21H,4,7-8,12H2/b20-17+/t18-/m0/s1
InChIKeyGACSATKSXPYLMZ-ONZPZFSWSA-N
XLogP3.68
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.68
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

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[6-(4-Fluorophenyl)-3,4-dihydroisoquinolin-1-yl]methanol
CID 164004263
N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-3,4-dihydro-2H-naphthalen-1-imine
CID 12712295
2-Phenyl-2-(2,2,2-trifluoro-1-phenyl-ethylideneamino)-ethanol
CID 3416301
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-phenylethanol?
The IUPAC name of (2R)-2-[(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-phenylethanol (CID 101111276) is (2R)-2-[(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-phenylethanol is OC[C@H](/N=C1\CCCc2ccc(F)cc21)c1ccccc1.
What is the InChIKey of (2R)-2-[(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-phenylethanol?
The InChIKey is GACSATKSXPYLMZ-ONZPZFSWSA-N. The full InChI is InChI=1S/C18H18FNO/c19-15-10-9-13-7-4-8-17(16(13)11-15)20-18(12-21)14-5-2-1-3-6-14/h1-3,5-6,9-11,18,21H,4,7-8,12H2/b20-17+/t18-/m0/s1.
What are the key properties of (2R)-2-[(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-phenylethanol?
(2R)-2-[(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-phenylethanol has a molecular weight of 283.35 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-phenylethanol is sourced from PubChem (CID 101111276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).