1-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine

C13H18FN — CID 105460928

IUPAC1-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine
SMILESCNC(C)C1CCCc2cc(F)ccc21
InChIInChI=1S/C13H18FN/c1-9(15-2)12-5-3-4-10-8-11(14)6-7-13(10)12/h6-9,12,15H,3-5H2,1-2H3
InChIKeyPURGLCGLIHTEHJ-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.85
Rot. Bonds2

About 1-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine

1-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine (PubChem CID 105460928) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine
PubChem CID105460928
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine
SMILESCNC(C)C1CCCc2cc(F)ccc21
InChIInChI=1S/C13H18FN/c1-9(15-2)12-5-3-4-10-8-11(14)6-7-13(10)12/h6-9,12,15H,3-5H2,1-2H3
InChIKeyPURGLCGLIHTEHJ-UHFFFAOYSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-ol
CID 105461963
1-tert-butyl-6-fluoro-1,2,3,4-tetrahydronaphthalene
CID 134573314
1-(1-bromo-2-methylpropyl)-5-fluoro-2,3-dihydro-1H-indene
CID 116532446
6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71757709
6-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 59559014
3-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-N-methylpropan-1-amine
CID 83985427
6-fluoro-N,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83907576
5-[1-(3-fluorophenyl)-3-(methylamino)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 67867492
2-(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenyl)-2-(methylamino)acetic acid
CID 83985430
N-methyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-4-yl)ethanamine
CID 123902681
6-fluoro-2-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 135177655
5-fluoro-N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103779432

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine?
The IUPAC name of 1-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine (CID 105460928) is 1-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine.
What is the SMILES notation for 1-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine?
The canonical SMILES for 1-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine is CNC(C)C1CCCc2cc(F)ccc21.
What is the InChIKey of 1-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine?
The InChIKey is PURGLCGLIHTEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9(15-2)12-5-3-4-10-8-11(14)6-7-13(10)12/h6-9,12,15H,3-5H2,1-2H3.
What are the key properties of 1-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine?
1-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine has a molecular weight of 207.29 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine is sourced from PubChem (CID 105460928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).