5-chloro-6-methoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol

C14H20ClNO2 — CID 13067565

IUPAC5-chloro-6-methoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1ccc2c(c1Cl)CCC(NC(C)C)C2O
InChIInChI=1S/C14H20ClNO2/c1-8(2)16-11-6-4-9-10(14(11)17)5-7-12(18-3)13(9)15/h5,7-8,11,14,16-17H,4,6H2,1-3H3
InChIKeyUMWZDANDUIITHD-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.69
Rot. Bonds3

About 5-chloro-6-methoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol

5-chloro-6-methoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 13067565) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 5-chloro-6-methoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-chloro-6-methoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID13067565
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name5-chloro-6-methoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCOc1ccc2c(c1Cl)CCC(NC(C)C)C2O
InChIInChI=1S/C14H20ClNO2/c1-8(2)16-11-6-4-9-10(14(11)17)5-7-12(18-3)13(9)15/h5,7-8,11,14,16-17H,4,6H2,1-3H3
InChIKeyUMWZDANDUIITHD-UHFFFAOYSA-N
XLogP2.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-chloro-6-methoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 13067565) is 5-chloro-6-methoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-chloro-6-methoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-chloro-6-methoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol is COc1ccc2c(c1Cl)CCC(NC(C)C)C2O.
What is the InChIKey of 5-chloro-6-methoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is UMWZDANDUIITHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-8(2)16-11-6-4-9-10(14(11)17)5-7-12(18-3)13(9)15/h5,7-8,11,14,16-17H,4,6H2,1-3H3.
What are the key properties of 5-chloro-6-methoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol?
5-chloro-6-methoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 269.77 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methoxy-2-(propan-2-ylamino)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 13067565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).