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

C17H26ClNO — CID 15268493

IUPAC5-chloro-8-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)C1CCc2c(Cl)ccc(OC)c2C1
InChIInChI=1S/C17H26ClNO/c1-4-10-19(11-5-2)13-6-7-14-15(12-13)17(20-3)9-8-16(14)18/h8-9,13H,4-7,10-12H2,1-3H3
InChIKeyZWPHDVDLHATVJP-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.33
Rot. Bonds6

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

5-chloro-8-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 15268493) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 5-chloro-8-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name5-chloro-8-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID15268493
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name5-chloro-8-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)C1CCc2c(Cl)ccc(OC)c2C1
InChIInChI=1S/C17H26ClNO/c1-4-10-19(11-5-2)13-6-7-14-15(12-13)17(20-3)9-8-16(14)18/h8-9,13H,4-7,10-12H2,1-3H3
InChIKeyZWPHDVDLHATVJP-UHFFFAOYSA-N
XLogP4.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 5-chloro-8-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 15268493) is 5-chloro-8-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 5-chloro-8-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 5-chloro-8-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(CCC)C1CCc2c(Cl)ccc(OC)c2C1.
What is the InChIKey of 5-chloro-8-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is ZWPHDVDLHATVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-4-10-19(11-5-2)13-6-7-14-15(12-13)17(20-3)9-8-16(14)18/h8-9,13H,4-7,10-12H2,1-3H3.
What are the key properties of 5-chloro-8-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
5-chloro-8-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 295.85 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 15268493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).