(5-fluoro-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methanamine

C12H16FNO — CID 83834492

IUPAC(5-fluoro-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methanamine
SMILESCOC1(CN)CCCc2c(F)cccc21
InChIInChI=1S/C12H16FNO/c1-15-12(8-14)7-3-4-9-10(12)5-2-6-11(9)13/h2,5-6H,3-4,7-8,14H2,1H3
InChIKeyJPEGBZQPIWQNHU-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.96
Rot. Bonds2

About (5-fluoro-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methanamine

(5-fluoro-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methanamine (PubChem CID 83834492) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (5-fluoro-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methanamine
PubChem CID83834492
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(5-fluoro-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methanamine
SMILESCOC1(CN)CCCc2c(F)cccc21
InChIInChI=1S/C12H16FNO/c1-15-12(8-14)7-3-4-9-10(12)5-2-6-11(9)13/h2,5-6H,3-4,7-8,14H2,1H3
InChIKeyJPEGBZQPIWQNHU-UHFFFAOYSA-N
XLogP1.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Aminomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 12914859
2-Methoxy-2-phenylpropan-1-amine
CID 53276254
1-Methoxytetralin-2-amine
CID 49770000
2-(1,2,3,4-Tetrahydronaphthalen-1-yloxy)ethan-1-amine
CID 20112856
(1-ethyl-3,4-dihydro-1H-2-benzopyran-1-yl)methanamine hydrochloride
CID 119031548
(1-methyl-3,4-dihydro-1H-2-benzopyran-1-yl)methanamine
CID 131258352
(2-Phenyloxan-2-yl)methanamine
CID 137951754
(3S,4R)-2'-methyl-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 134954189
(R)-2-(o-fluorophenyl)-2-methoxypropylamine
CID 96681773
(1-ethyl-3,4-dihydro-1H-2-benzopyran-1-yl)methanamine
CID 119031549
2-[3-(2,6-Difluorophenyl)propoxy]-2-(2,6-dimethylphenyl)ethanamine
CID 9927044
2-[(3-Fluorophenyl)-(2-methylphenyl)methoxy]ethanamine
CID 11680468

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methanamine?
The IUPAC name of (5-fluoro-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methanamine (CID 83834492) is (5-fluoro-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methanamine.
What is the SMILES notation for (5-fluoro-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methanamine?
The canonical SMILES for (5-fluoro-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methanamine is COC1(CN)CCCc2c(F)cccc21.
What is the InChIKey of (5-fluoro-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methanamine?
The InChIKey is JPEGBZQPIWQNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-15-12(8-14)7-3-4-9-10(12)5-2-6-11(9)13/h2,5-6H,3-4,7-8,14H2,1H3.
What are the key properties of (5-fluoro-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methanamine?
(5-fluoro-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methanamine has a molecular weight of 209.26 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methanamine is sourced from PubChem (CID 83834492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).