5-fluoro-7-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C12H16FNO — CID 115417559

IUPAC5-fluoro-7-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cc(F)c2c(c1)C(N)CCC2C
InChIInChI=1S/C12H16FNO/c1-7-3-4-11(14)9-5-8(15-2)6-10(13)12(7)9/h5-7,11H,3-4,14H2,1-2H3
InChIKeyGTDMAEZLSHMPEG-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.73
Rot. Bonds1

About 5-fluoro-7-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

5-fluoro-7-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115417559) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 5-fluoro-7-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-fluoro-7-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115417559
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name5-fluoro-7-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cc(F)c2c(c1)C(N)CCC2C
InChIInChI=1S/C12H16FNO/c1-7-3-4-11(14)9-5-8(15-2)6-10(13)12(7)9/h5-7,11H,3-4,14H2,1-2H3
InChIKeyGTDMAEZLSHMPEG-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-1-fluoro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014491
(4S)-8-fluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252232
(1R)-5-bromo-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417759
7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417584
(1R)-7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417582
4,6-dimethoxy-2,3-dihydro-1H-inden-1-amine
CID 61382953
(1R)-4,9-dimethyl-1,2,3,4-tetrahydrophenanthren-1-amine
CID 113305819
(1S)-1-amino-6-methoxy-2,3-dihydro-1H-inden-4-ol
CID 130664492
7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417620
(1S)-7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417616
1-cyclopropyl-3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-amine
CID 153340141
(4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 103693937

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-fluoro-7-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115417559) is 5-fluoro-7-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-fluoro-7-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-fluoro-7-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is COc1cc(F)c2c(c1)C(N)CCC2C.
What is the InChIKey of 5-fluoro-7-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is GTDMAEZLSHMPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-7-3-4-11(14)9-5-8(15-2)6-10(13)12(7)9/h5-7,11H,3-4,14H2,1-2H3.
What are the key properties of 5-fluoro-7-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
5-fluoro-7-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 209.26 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115417559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).