4-[3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine

C17H26N2O — CID 110457303

IUPAC4-[3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine
SMILESCC1Cc2ccccc2CN1CCCN1CCOCC1
InChIInChI=1S/C17H26N2O/c1-15-13-16-5-2-3-6-17(16)14-19(15)8-4-7-18-9-11-20-12-10-18/h2-3,5-6,15H,4,7-14H2,1H3
InChIKeyACLAAOAIOQVSCN-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.16
Rot. Bonds4

About 4-[3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine

4-[3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine (PubChem CID 110457303) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine
PubChem CID110457303
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-[3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine
SMILESCC1Cc2ccccc2CN1CCCN1CCOCC1
InChIInChI=1S/C17H26N2O/c1-15-13-16-5-2-3-6-17(16)14-19(15)8-4-7-18-9-11-20-12-10-18/h2-3,5-6,15H,4,7-14H2,1H3
InChIKeyACLAAOAIOQVSCN-UHFFFAOYSA-N
XLogP2.16
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Dimethyl-4-(1-(4-methylbenzyl)piperidin-4-yl)morpholine hydrochloride
CID 24761181
2h-Benzo[b]quinolizine, 1,3,4,6,11,11a-hexahydro-
CID 290350
1-(1-Phenylcyclohexyl)morpholine hydrochloride
CID 121542
(2R,11bS)-N-(dimethylsulfamoyl)-N-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
CID 13217508
methyl N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylcarbamate
CID 13560678
ethyl N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylcarbamate
CID 13560681
2-methylpropyl N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylcarbamate
CID 14107035
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylacetamide
CID 14107038
(2R,11bS)-N-dimethoxyphosphoryl-N-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
CID 14107050
4-[[4-[4-(Piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
N,N-dimethyl-4-morpholin-4-yl-1-phenylcyclohexan-1-amine;hydrochloride
CID 118711483
4,4'-[1,4-Phenylenebis(methylene)]dimorpholine
CID 250932

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine?
The IUPAC name of 4-[3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine (CID 110457303) is 4-[3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine is CC1Cc2ccccc2CN1CCCN1CCOCC1.
What is the InChIKey of 4-[3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine?
The InChIKey is ACLAAOAIOQVSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-15-13-16-5-2-3-6-17(16)14-19(15)8-4-7-18-9-11-20-12-10-18/h2-3,5-6,15H,4,7-14H2,1H3.
What are the key properties of 4-[3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine?
4-[3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine has a molecular weight of 274.41 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]morpholine is sourced from PubChem (CID 110457303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).