1-(5-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine

C13H18FN — CID 112545998

IUPAC1-(5-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine
SMILESCNCC1CCC(C)c2c(F)cccc21
InChIInChI=1S/C13H18FN/c1-9-6-7-10(8-15-2)11-4-3-5-12(14)13(9)11/h3-5,9-10,15H,6-8H2,1-2H3
InChIKeyXKVWHJIPXGLJAO-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.03
Rot. Bonds2

About 1-(5-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine

1-(5-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine (PubChem CID 112545998) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-(5-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine
PubChem CID112545998
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-(5-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine
SMILESCNCC1CCC(C)c2c(F)cccc21
InChIInChI=1S/C13H18FN/c1-9-6-7-10(8-15-2)11-4-3-5-12(14)13(9)11/h3-5,9-10,15H,6-8H2,1-2H3
InChIKeyXKVWHJIPXGLJAO-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-5-fluoro-4-methyl-1,2,3,4-tetrahydroisoquinoline
CID 64687799
(1S,4S)-8-fluoro-1-(methylaminomethyl)-3,4-dihydro-1H-isochromen-4-ol
CID 134208119
4-fluoro-3-methyl-2,3-dihydro-1H-inden-1-ol
CID 63821752
(1S)-7-fluoro-1-methyl-2,3-dihydro-1H-indene
CID 89205877
1-(7-chloro-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine
CID 83753333
1-(7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine
CID 83907816
1-[2-(2-fluorophenyl)cyclopentyl]-N-methylmethanamine
CID 81033471
1-[2-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 81027217
1-[(1R,3S)-3-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylmethanamine
CID 59582001
1-[(1S,3S)-3-(3-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]-N-methylmethanamine
CID 59581966
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methylmethanamine
CID 53275663
1-[(3S)-9-fluoro-3-propan-2-yl-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]-N-methylmethanamine
CID 165409740

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine (CID 112545998) is 1-(5-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine is CNCC1CCC(C)c2c(F)cccc21.
What is the InChIKey of 1-(5-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine?
The InChIKey is XKVWHJIPXGLJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9-6-7-10(8-15-2)11-4-3-5-12(14)13(9)11/h3-5,9-10,15H,6-8H2,1-2H3.
What are the key properties of 1-(5-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine?
1-(5-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine has a molecular weight of 207.29 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine is sourced from PubChem (CID 112545998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).