(1R)-5-fluoro-7,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C12H16FNO2 — CID 79014418

IUPAC(1R)-5-fluoro-7,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cc(F)c2c(c1OC)[C@H](N)CCC2
InChIInChI=1S/C12H16FNO2/c1-15-10-6-8(13)7-4-3-5-9(14)11(7)12(10)16-2/h6,9H,3-5,14H2,1-2H3/t9-/m1/s1
InChIKeyKAVCWJZQUXXTFZ-SECBINFHSA-N
MW225.26 g/mol
LogP2.18
Rot. Bonds2

About (1R)-5-fluoro-7,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-5-fluoro-7,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79014418) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is (1R)-5-fluoro-7,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-5-fluoro-7,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79014418
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name(1R)-5-fluoro-7,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cc(F)c2c(c1OC)[C@H](N)CCC2
InChIInChI=1S/C12H16FNO2/c1-15-10-6-8(13)7-4-3-5-9(14)11(7)12(10)16-2/h6,9H,3-5,14H2,1-2H3/t9-/m1/s1
InChIKeyKAVCWJZQUXXTFZ-SECBINFHSA-N
XLogP2.18
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-1-fluoro-3,4-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014447
(1S)-7-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 105057486
5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55109327
(1R)-5,6,7-trimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79014185
(1R)-7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417582
7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417584
6-fluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 22000970
1-chloro-7,8-dimethoxy-5-methyl-1,2,3,4-tetrahydronaphthalene
CID 62735651
(5S)-1-fluoro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014491
2-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)pyrrolidine
CID 117403489
1-chloro-3,4-dimethoxy-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62942783
3-(2,3-difluoro-5,6-dimethoxyphenyl)pyrrolidine
CID 117359549

Frequently Asked Questions

What is the IUPAC name of (1R)-5-fluoro-7,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R)-5-fluoro-7,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79014418) is (1R)-5-fluoro-7,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-5-fluoro-7,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R)-5-fluoro-7,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1cc(F)c2c(c1OC)[C@H](N)CCC2.
What is the InChIKey of (1R)-5-fluoro-7,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is KAVCWJZQUXXTFZ-SECBINFHSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-15-10-6-8(13)7-4-3-5-9(14)11(7)12(10)16-2/h6,9H,3-5,14H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-5-fluoro-7,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R)-5-fluoro-7,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 225.26 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-fluoro-7,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79014418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).