(1-amino-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol

C12H16FNO — CID 112716328

IUPAC(1-amino-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
SMILESCC1CCc2c(F)cccc2C1(N)CO
InChIInChI=1S/C12H16FNO/c1-8-5-6-9-10(12(8,14)7-15)3-2-4-11(9)13/h2-4,8,15H,5-7,14H2,1H3
InChIKeyWGADJABSRZLRQA-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.55
Rot. Bonds1

About (1-amino-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol

(1-amino-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol (PubChem CID 112716328) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (1-amino-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol.

Molecular Properties

Compound Name(1-amino-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
PubChem CID112716328
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(1-amino-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol
SMILESCC1CCc2c(F)cccc2C1(N)CO
InChIInChI=1S/C12H16FNO/c1-8-5-6-9-10(12(8,14)7-15)3-2-4-11(9)13/h2-4,8,15H,5-7,14H2,1H3
InChIKeyWGADJABSRZLRQA-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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Related Compounds

(1-amino-4-fluoro-2-methyl-2,3-dihydroinden-1-yl)methanol
CID 112715367
2-(1-amino-4-fluoro-2,3-dihydroinden-1-yl)ethanol
CID 83070069
(1R)-1-amino-4-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 97055121
5-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-amine
CID 115057113
(5-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-yl)methanamine
CID 115057388
5-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol
CID 115010849
2-[1-(ethylamino)-4-fluoro-2,3-dihydroinden-1-yl]ethanol
CID 83070068
4,4,8-trifluoro-2,3-dihydro-1H-naphthalene
CID 84718996
2-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetonitrile
CID 83069835
1-(2,3-difluorophenyl)-2-methylcyclopropan-1-ol
CID 79332533
4-fluoro-2,3-dihydro-1H-inden-1-amine;methanamine
CID 175262813
1-ethylsulfanyl-4-fluoro-2,3-dihydro-1H-indene
CID 130671865

Frequently Asked Questions

What is the IUPAC name of (1-amino-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol?
The IUPAC name of (1-amino-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol (CID 112716328) is (1-amino-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol.
What is the SMILES notation for (1-amino-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol?
The canonical SMILES for (1-amino-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol is CC1CCc2c(F)cccc2C1(N)CO.
What is the InChIKey of (1-amino-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol?
The InChIKey is WGADJABSRZLRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-5-6-9-10(12(8,14)7-15)3-2-4-11(9)13/h2-4,8,15H,5-7,14H2,1H3.
What are the key properties of (1-amino-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol?
(1-amino-5-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-5-fluoro-2-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanol is sourced from PubChem (CID 112716328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).