1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone

C14H18FNO2 — CID 117381240

IUPAC1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(OC)c2c(c1F)CCCC2
InChIInChI=1S/C14H18FNO2/c1-16-8-12(17)11-7-13(18-2)9-5-3-4-6-10(9)14(11)15/h7,16H,3-6,8H2,1-2H3
InChIKeyHQMFYAIENXZDNV-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.12
Rot. Bonds4

About 1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone

1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone (PubChem CID 117381240) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone
PubChem CID117381240
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(OC)c2c(c1F)CCCC2
InChIInChI=1S/C14H18FNO2/c1-16-8-12(17)11-7-13(18-2)9-5-3-4-6-10(9)14(11)15/h7,16H,3-6,8H2,1-2H3
InChIKeyHQMFYAIENXZDNV-UHFFFAOYSA-N
XLogP2.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid
CID 117348841
1-(4-fluoro-2,3-dihydro-1H-inden-5-yl)-2-(methylamino)ethanone
CID 117295815
1-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanone
CID 117426481
1-(2-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117464837
1-(4-bromo-5-methoxy-2-methylphenyl)-2-(methylamino)ethanone
CID 84809522
1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone
CID 117315976
1-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanone
CID 117391080
1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanone
CID 117435412
3-amino-1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
CID 117376253
1-(3-bromo-2-hydroxy-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117488916
1-(2,5-dimethoxy-4-piperidin-1-ylphenyl)-2-(methylamino)ethanone
CID 117472207
1-(3-chloro-2,6-difluoro-4-methoxyphenyl)-2-(methylamino)ethanone
CID 117377818

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone (CID 117381240) is 1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone is CNCC(=O)c1cc(OC)c2c(c1F)CCCC2.
What is the InChIKey of 1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone?
The InChIKey is HQMFYAIENXZDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-16-8-12(17)11-7-13(18-2)9-5-3-4-6-10(9)14(11)15/h7,16H,3-6,8H2,1-2H3.
What are the key properties of 1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone?
1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone has a molecular weight of 251.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoro-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 117381240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).