8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

C11H14ClNO — CID 12924813

IUPAC8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc(Cl)c2c1CCC(N)C2
InChIInChI=1S/C11H14ClNO/c1-14-11-5-4-10(12)9-6-7(13)2-3-8(9)11/h4-5,7H,2-3,6,13H2,1H3
InChIKeyWSEJCMUVXHDUTI-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.16
Rot. Bonds1

About 8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 12924813) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID12924813
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCOc1ccc(Cl)c2c1CCC(N)C2
InChIInChI=1S/C11H14ClNO/c1-14-11-5-4-10(12)9-6-7(13)2-3-8(9)11/h4-5,7H,2-3,6,13H2,1H3
InChIKeyWSEJCMUVXHDUTI-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (CID 12924813) is 8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is COc1ccc(Cl)c2c1CCC(N)C2.
What is the InChIKey of 8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is WSEJCMUVXHDUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-14-11-5-4-10(12)9-6-7(13)2-3-8(9)11/h4-5,7H,2-3,6,13H2,1H3.
What are the key properties of 8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 211.69 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 12924813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).