(2R)-2-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol

C18H20FNO — CID 102372507

IUPAC(2R)-2-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol
SMILESOC[C@H](N[C@H]1CCCc2ccc(F)cc21)c1ccccc1
InChIInChI=1S/C18H20FNO/c19-15-10-9-13-7-4-8-17(16(13)11-15)20-18(12-21)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18,20-21H,4,7-8,12H2/t17-,18-/m0/s1
InChIKeyWAADLIDPNBMPHG-ROUUACIJSA-N
MW285.36 g/mol
LogP3.53
Rot. Bonds4

About (2R)-2-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol

(2R)-2-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol (PubChem CID 102372507) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is (2R)-2-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol
PubChem CID102372507
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name(2R)-2-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol
SMILESOC[C@H](N[C@H]1CCCc2ccc(F)cc21)c1ccccc1
InChIInChI=1S/C18H20FNO/c19-15-10-9-13-7-4-8-17(16(13)11-15)20-18(12-21)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18,20-21H,4,7-8,12H2/t17-,18-/m0/s1
InChIKeyWAADLIDPNBMPHG-ROUUACIJSA-N
XLogP3.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol with MolForge

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Related Compounds

(2R)-2-phenyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)ethanol
CID 107862596
2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
CID 81339043
2-[[(1R)-5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol
CID 69382831
1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1H-inden-5-ol
CID 107862522
(2S)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-phenylethanol
CID 103784055
5-fluoro-N-(1-phenylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 115623709
(2R)-2-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 103922385
(2R)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-phenylethanol
CID 103788778
(2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol
CID 103788750
N-[(1S)-1-(3-fluorophenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 81353260
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-2-phenylacetamide
CID 111538143
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol?
The IUPAC name of (2R)-2-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol (CID 102372507) is (2R)-2-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol is OC[C@H](N[C@H]1CCCc2ccc(F)cc21)c1ccccc1.
What is the InChIKey of (2R)-2-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol?
The InChIKey is WAADLIDPNBMPHG-ROUUACIJSA-N. The full InChI is InChI=1S/C18H20FNO/c19-15-10-9-13-7-4-8-17(16(13)11-15)20-18(12-21)14-5-2-1-3-6-14/h1-3,5-6,9-11,17-18,20-21H,4,7-8,12H2/t17-,18-/m0/s1.
What are the key properties of (2R)-2-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol?
(2R)-2-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol has a molecular weight of 285.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol is sourced from PubChem (CID 102372507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).