(1R)-6-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

C11H14ClNO — CID 130707024

IUPAC(1R)-6-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cc2c(cc1Cl)CCC[C@H]2N
InChIInChI=1S/C11H14ClNO/c1-14-11-6-8-7(5-9(11)12)3-2-4-10(8)13/h5-6,10H,2-4,13H2,1H3/t10-/m1/s1
InChIKeyURIRDGOZQIDWRK-SNVBAGLBSA-N
MW211.69 g/mol
LogP2.68
Rot. Bonds1

About (1R)-6-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-6-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 130707024) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is (1R)-6-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-6-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID130707024
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name(1R)-6-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cc2c(cc1Cl)CCC[C@H]2N
InChIInChI=1S/C11H14ClNO/c1-14-11-6-8-7(5-9(11)12)3-2-4-10(8)13/h5-6,10H,2-4,13H2,1H3/t10-/m1/s1
InChIKeyURIRDGOZQIDWRK-SNVBAGLBSA-N
XLogP2.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-6-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R)-6-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine (CID 130707024) is (1R)-6-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-6-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R)-6-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is COc1cc2c(cc1Cl)CCC[C@H]2N.
What is the InChIKey of (1R)-6-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is URIRDGOZQIDWRK-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-14-11-6-8-7(5-9(11)12)3-2-4-10(8)13/h5-6,10H,2-4,13H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-6-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R)-6-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 211.69 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-chloro-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 130707024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).