(2R)-5,6-difluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

C11H14ClF2NO — CID 20755564

IUPAC(2R)-5,6-difluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCOc1cc2c(c(F)c1F)CC[C@@H](N)C2.Cl
InChIInChI=1S/C11H13F2NO.ClH/c1-15-9-5-6-4-7(14)2-3-8(6)10(12)11(9)13;/h5,7H,2-4,14H2,1H3;1H/t7-;/m1./s1
InChIKeyXXXKGCICCNOGFB-OGFXRTJISA-N
MW249.69 g/mol
LogP2.21
Rot. Bonds1

About (2R)-5,6-difluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride

(2R)-5,6-difluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (PubChem CID 20755564) has the molecular formula C11H14ClF2NO and a molecular weight of 249.69 g/mol. Its IUPAC name is (2R)-5,6-difluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-5,6-difluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
PubChem CID20755564
Molecular FormulaC11H14ClF2NO
Molecular Weight249.69 g/mol
Exact Mass249.07
IUPAC Name(2R)-5,6-difluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
SMILESCOc1cc2c(c(F)c1F)CC[C@@H](N)C2.Cl
InChIInChI=1S/C11H13F2NO.ClH/c1-15-9-5-6-4-7(14)2-3-8(6)10(12)11(9)13;/h5,7H,2-4,14H2,1H3;1H/t7-;/m1./s1
InChIKeyXXXKGCICCNOGFB-OGFXRTJISA-N
XLogP2.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.69
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-5,6-difluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The IUPAC name of (2R)-5,6-difluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride (CID 20755564) is (2R)-5,6-difluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride.
What is the SMILES notation for (2R)-5,6-difluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The canonical SMILES for (2R)-5,6-difluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is COc1cc2c(c(F)c1F)CC[C@@H](N)C2.Cl.
What is the InChIKey of (2R)-5,6-difluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
The InChIKey is XXXKGCICCNOGFB-OGFXRTJISA-N. The full InChI is InChI=1S/C11H13F2NO.ClH/c1-15-9-5-6-4-7(14)2-3-8(6)10(12)11(9)13;/h5,7H,2-4,14H2,1H3;1H/t7-;/m1./s1.
What are the key properties of (2R)-5,6-difluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride?
(2R)-5,6-difluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride has a molecular weight of 249.69 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,6-difluoro-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride is sourced from PubChem (CID 20755564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).