5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine

C24H34N2O2 — CID 3052115

IUPAC5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine
SMILESCc1nc(Cc2ccccc2)c2c(c1OCCC(C)CCNC(C)C)COC2
InChIInChI=1S/C24H34N2O2/c1-17(2)25-12-10-18(3)11-13-28-24-19(4)26-23(21-15-27-16-22(21)24)14-20-8-6-5-7-9-20/h5-9,17-18,25H,10-16H2,1-4H3
InChIKeyLEMLOMDGSUCQBC-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.80
Rot. Bonds10

About 5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine

5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine (PubChem CID 3052115) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine
PubChem CID3052115
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine
SMILESCc1nc(Cc2ccccc2)c2c(c1OCCC(C)CCNC(C)C)COC2
InChIInChI=1S/C24H34N2O2/c1-17(2)25-12-10-18(3)11-13-28-24-19(4)26-23(21-15-27-16-22(21)24)14-20-8-6-5-7-9-20/h5-9,17-18,25H,10-16H2,1-4H3
InChIKeyLEMLOMDGSUCQBC-UHFFFAOYSA-N
XLogP4.80
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine (CID 3052115) is 5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine is Cc1nc(Cc2ccccc2)c2c(c1OCCC(C)CCNC(C)C)COC2.
What is the InChIKey of 5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine?
The InChIKey is LEMLOMDGSUCQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-17(2)25-12-10-18(3)11-13-28-24-19(4)26-23(21-15-27-16-22(21)24)14-20-8-6-5-7-9-20/h5-9,17-18,25H,10-16H2,1-4H3.
What are the key properties of 5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine?
5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine has a molecular weight of 382.55 g/mol, XLogP of 4.80, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-3-methyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 3052115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).