5-[1-(3-fluorophenyl)-3-(methylamino)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol

C20H24FNO — CID 67867492

IUPAC5-[1-(3-fluorophenyl)-3-(methylamino)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCNCC(Cc1cccc(F)c1)C1CCCc2cc(O)ccc21
InChIInChI=1S/C20H24FNO/c1-22-13-16(10-14-4-2-6-17(21)11-14)19-7-3-5-15-12-18(23)8-9-20(15)19/h2,4,6,8-9,11-12,16,19,22-23H,3,5,7,10,13H2,1H3
InChIKeyCBXUYDSLVFKHKM-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.03
Rot. Bonds5

About 5-[1-(3-fluorophenyl)-3-(methylamino)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol

5-[1-(3-fluorophenyl)-3-(methylamino)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 67867492) has the molecular formula C20H24FNO and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-[1-(3-fluorophenyl)-3-(methylamino)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5-[1-(3-fluorophenyl)-3-(methylamino)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID67867492
Molecular FormulaC20H24FNO
Molecular Weight313.42 g/mol
Exact Mass313.18
IUPAC Name5-[1-(3-fluorophenyl)-3-(methylamino)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCNCC(Cc1cccc(F)c1)C1CCCc2cc(O)ccc21
InChIInChI=1S/C20H24FNO/c1-22-13-16(10-14-4-2-6-17(21)11-14)19-7-3-5-15-12-18(23)8-9-20(15)19/h2,4,6,8-9,11-12,16,19,22-23H,3,5,7,10,13H2,1H3
InChIKeyCBXUYDSLVFKHKM-UHFFFAOYSA-N
XLogP4.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methyl-4-phenylbutan-1-amine
CID 67936246
5-[3-(methylamino)-2-phenylpropyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 57301570
5-[3-(methylamino)-2-phenylpropyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
CID 67867674
1-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine
CID 105460928
2-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-ol
CID 105461963
2-[(3-fluorophenyl)methyl]-N-methyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 67868038
N-ethyl-2-(3-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105096166
2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propane-1,3-diol
CID 65310523
5-ethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 22998647
3-[(3-fluorophenyl)methyl]-4-(methylamino)butanoic acid
CID 155217766
2-(7-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(furan-2-yl)-N-methylpropan-1-amine;methanesulfonate
CID 19882542
2-(3-fluorophenyl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol
CID 63896170

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-fluorophenyl)-3-(methylamino)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 5-[1-(3-fluorophenyl)-3-(methylamino)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 67867492) is 5-[1-(3-fluorophenyl)-3-(methylamino)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5-[1-(3-fluorophenyl)-3-(methylamino)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5-[1-(3-fluorophenyl)-3-(methylamino)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol is CNCC(Cc1cccc(F)c1)C1CCCc2cc(O)ccc21.
What is the InChIKey of 5-[1-(3-fluorophenyl)-3-(methylamino)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is CBXUYDSLVFKHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO/c1-22-13-16(10-14-4-2-6-17(21)11-14)19-7-3-5-15-12-18(23)8-9-20(15)19/h2,4,6,8-9,11-12,16,19,22-23H,3,5,7,10,13H2,1H3.
What are the key properties of 5-[1-(3-fluorophenyl)-3-(methylamino)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
5-[1-(3-fluorophenyl)-3-(methylamino)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 313.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-fluorophenyl)-3-(methylamino)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 67867492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).