6-fluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C11H14FNO — CID 22000970

IUPAC6-fluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cc2c(cc1F)CCCC2N
InChIInChI=1S/C11H14FNO/c1-14-11-6-8-7(5-9(11)12)3-2-4-10(8)13/h5-6,10H,2-4,13H2,1H3
InChIKeyFPLFKUYUTHJOHE-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.17
Rot. Bonds1

About 6-fluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

6-fluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 22000970) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 6-fluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-fluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID22000970
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name6-fluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cc2c(cc1F)CCCC2N
InChIInChI=1S/C11H14FNO/c1-14-11-6-8-7(5-9(11)12)3-2-4-10(8)13/h5-6,10H,2-4,13H2,1H3
InChIKeyFPLFKUYUTHJOHE-UHFFFAOYSA-N
XLogP2.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-fluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 22000970) is 6-fluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-fluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-fluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1cc2c(cc1F)CCCC2N.
What is the InChIKey of 6-fluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is FPLFKUYUTHJOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-14-11-6-8-7(5-9(11)12)3-2-4-10(8)13/h5-6,10H,2-4,13H2,1H3.
What are the key properties of 6-fluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
6-fluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 195.24 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 22000970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).