6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-3,4-dihydro-2H-naphthalen-1-one

C25H31NO2 — CID 19098590

IUPAC6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1cccc2c1CCCC2CN(C)CCc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C25H31NO2/c1-26(15-14-18-12-13-22-19(16-18)6-4-10-24(22)27)17-20-7-3-9-23-21(20)8-5-11-25(23)28-2/h5,8,11-13,16,20H,3-4,6-7,9-10,14-15,17H2,1-2H3
InChIKeyRXVJBHGZLSSQNY-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.81
Rot. Bonds6

About 6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-3,4-dihydro-2H-naphthalen-1-one

6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 19098590) has the molecular formula C25H31NO2 and a molecular weight of 377.53 g/mol. Its IUPAC name is 6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID19098590
Molecular FormulaC25H31NO2
Molecular Weight377.53 g/mol
Exact Mass377.24
IUPAC Name6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCOc1cccc2c1CCCC2CN(C)CCc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C25H31NO2/c1-26(15-14-18-12-13-22-19(16-18)6-4-10-24(22)27)17-20-7-3-9-23-21(20)8-5-11-25(23)28-2/h5,8,11-13,16,20H,3-4,6-7,9-10,14-15,17H2,1-2H3
InChIKeyRXVJBHGZLSSQNY-UHFFFAOYSA-N
XLogP4.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-3,4-dihydro-2H-naphthalen-1-one (CID 19098590) is 6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-3,4-dihydro-2H-naphthalen-1-one is COc1cccc2c1CCCC2CN(C)CCc1ccc2c(c1)CCCC2=O.
What is the InChIKey of 6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is RXVJBHGZLSSQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO2/c1-26(15-14-18-12-13-22-19(16-18)6-4-10-24(22)27)17-20-7-3-9-23-21(20)8-5-11-25(23)28-2/h5,8,11-13,16,20H,3-4,6-7,9-10,14-15,17H2,1-2H3.
What are the key properties of 6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-3,4-dihydro-2H-naphthalen-1-one?
6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 377.53 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl-methylamino]ethyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 19098590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).