(1-amino-7-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol

C12H16FNO — CID 112716329

IUPAC(1-amino-7-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
SMILESCC1CCc2ccc(F)cc2C1(N)CO
InChIInChI=1S/C12H16FNO/c1-8-2-3-9-4-5-10(13)6-11(9)12(8,14)7-15/h4-6,8,15H,2-3,7,14H2,1H3
InChIKeyNSOZUFZYDRPORA-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.55
Rot. Bonds1

About (1-amino-7-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol

(1-amino-7-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol (PubChem CID 112716329) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (1-amino-7-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol.

Molecular Properties

Compound Name(1-amino-7-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
PubChem CID112716329
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(1-amino-7-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
SMILESCC1CCc2ccc(F)cc2C1(N)CO
InChIInChI=1S/C12H16FNO/c1-8-2-3-9-4-5-10(13)6-11(9)12(8,14)7-15/h4-6,8,15H,2-3,7,14H2,1H3
InChIKeyNSOZUFZYDRPORA-UHFFFAOYSA-N
XLogP1.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-amino-7-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol?
The IUPAC name of (1-amino-7-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol (CID 112716329) is (1-amino-7-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol.
What is the SMILES notation for (1-amino-7-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol?
The canonical SMILES for (1-amino-7-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol is CC1CCc2ccc(F)cc2C1(N)CO.
What is the InChIKey of (1-amino-7-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol?
The InChIKey is NSOZUFZYDRPORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-2-3-9-4-5-10(13)6-11(9)12(8,14)7-15/h4-6,8,15H,2-3,7,14H2,1H3.
What are the key properties of (1-amino-7-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol?
(1-amino-7-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol has a molecular weight of 209.26 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-7-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol is sourced from PubChem (CID 112716329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).