5-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol

C20H24FNO — CID 15029809

IUPAC5-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCN(CCc1ccc(F)cc1)CC1CCCc2cc(O)ccc21
InChIInChI=1S/C20H24FNO/c1-22(12-11-15-5-7-18(21)8-6-15)14-17-4-2-3-16-13-19(23)9-10-20(16)17/h5-10,13,17,23H,2-4,11-12,14H2,1H3
InChIKeyAKGXBTMFHLTQGP-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.13
Rot. Bonds5

About 5-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol

5-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 15029809) has the molecular formula C20H24FNO and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID15029809
Molecular FormulaC20H24FNO
Molecular Weight313.42 g/mol
Exact Mass313.18
IUPAC Name5-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCN(CCc1ccc(F)cc1)CC1CCCc2cc(O)ccc21
InChIInChI=1S/C20H24FNO/c1-22(12-11-15-5-7-18(21)8-6-15)14-17-4-2-3-16-13-19(23)9-10-20(16)17/h5-10,13,17,23H,2-4,11-12,14H2,1H3
InChIKeyAKGXBTMFHLTQGP-UHFFFAOYSA-N
XLogP4.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[2-(3-hydroxyphenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
CID 19882664
5-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105458041
5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 67913401
3-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]phenol
CID 15029870
5-[[ethyl(2-phenylethyl)amino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrobromide
CID 67913400
5-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol;hydrochloride
CID 22998540
N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-phenylethanamine
CID 15029798
5-[(4-hydroxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 162650948
5-(4-fluoro-N-methylanilino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 82978550
5-ethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 22998647
N-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-N-methyl-2-thiophen-3-ylethanamine
CID 15029799
5-(methoxymethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105446165

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 5-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 15029809) is 5-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol is CN(CCc1ccc(F)cc1)CC1CCCc2cc(O)ccc21.
What is the InChIKey of 5-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is AKGXBTMFHLTQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO/c1-22(12-11-15-5-7-18(21)8-6-15)14-17-4-2-3-16-13-19(23)9-10-20(16)17/h5-10,13,17,23H,2-4,11-12,14H2,1H3.
What are the key properties of 5-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol?
5-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 313.42 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-fluorophenyl)ethyl-methylamino]methyl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 15029809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).