5-(4-fluoro-N-methylanilino)-5,6,7,8-tetrahydronaphthalen-2-ol

C17H18FNO — CID 82978550

IUPAC5-(4-fluoro-N-methylanilino)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCN(c1ccc(F)cc1)C1CCCc2cc(O)ccc21
InChIInChI=1S/C17H18FNO/c1-19(14-7-5-13(18)6-8-14)17-4-2-3-12-11-15(20)9-10-16(12)17/h5-11,17,20H,2-4H2,1H3
InChIKeyGOJQGUFPKYXDKN-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.05
Rot. Bonds2

About 5-(4-fluoro-N-methylanilino)-5,6,7,8-tetrahydronaphthalen-2-ol

5-(4-fluoro-N-methylanilino)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 82978550) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 5-(4-fluoro-N-methylanilino)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5-(4-fluoro-N-methylanilino)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID82978550
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name5-(4-fluoro-N-methylanilino)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCN(c1ccc(F)cc1)C1CCCc2cc(O)ccc21
InChIInChI=1S/C17H18FNO/c1-19(14-7-5-13(18)6-8-14)17-4-2-3-12-11-15(20)9-10-16(12)17/h5-11,17,20H,2-4H2,1H3
InChIKeyGOJQGUFPKYXDKN-UHFFFAOYSA-N
XLogP4.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-N-methylanilino)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 5-(4-fluoro-N-methylanilino)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 82978550) is 5-(4-fluoro-N-methylanilino)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5-(4-fluoro-N-methylanilino)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5-(4-fluoro-N-methylanilino)-5,6,7,8-tetrahydronaphthalen-2-ol is CN(c1ccc(F)cc1)C1CCCc2cc(O)ccc21.
What is the InChIKey of 5-(4-fluoro-N-methylanilino)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is GOJQGUFPKYXDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-19(14-7-5-13(18)6-8-14)17-4-2-3-12-11-15(20)9-10-16(12)17/h5-11,17,20H,2-4H2,1H3.
What are the key properties of 5-(4-fluoro-N-methylanilino)-5,6,7,8-tetrahydronaphthalen-2-ol?
5-(4-fluoro-N-methylanilino)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 271.34 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-N-methylanilino)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 82978550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).