(2S)-6-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

C11H14FNO — CID 55268325

IUPAC(2S)-6-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1c(F)ccc2c1CC[C@H](N)C2
InChIInChI=1S/C11H14FNO/c1-14-11-9-4-3-8(13)6-7(9)2-5-10(11)12/h2,5,8H,3-4,6,13H2,1H3/t8-/m0/s1
InChIKeyUULOALVPOWBRRO-QMMMGPOBSA-N
MW195.24 g/mol
LogP1.65
Rot. Bonds1

About (2S)-6-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

(2S)-6-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 55268325) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is (2S)-6-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S)-6-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID55268325
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name(2S)-6-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1c(F)ccc2c1CC[C@H](N)C2
InChIInChI=1S/C11H14FNO/c1-14-11-9-4-3-8(13)6-7(9)2-5-10(11)12/h2,5,8H,3-4,6,13H2,1H3/t8-/m0/s1
InChIKeyUULOALVPOWBRRO-QMMMGPOBSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-6-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S)-6-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (CID 55268325) is (2S)-6-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S)-6-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S)-6-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is COc1c(F)ccc2c1CC[C@H](N)C2.
What is the InChIKey of (2S)-6-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is UULOALVPOWBRRO-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14FNO/c1-14-11-9-4-3-8(13)6-7(9)2-5-10(11)12/h2,5,8H,3-4,6,13H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-6-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S)-6-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 195.24 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-fluoro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 55268325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).