4-[4-[(3S)-7-methoxy-3,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl]morpholine

C22H28N2O2 — CID 163823891

IUPAC4-[4-[(3S)-7-methoxy-3,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl]morpholine
SMILESCOc1cc2c(cc1C)C[C@H](C)NC2c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H28N2O2/c1-15-12-18-13-16(2)23-22(20(18)14-21(15)25-3)17-4-6-19(7-5-17)24-8-10-26-11-9-24/h4-7,12,14,16,22-23H,8-11,13H2,1-3H3/t16-,22?/m0/s1
InChIKeyFAZFOUVQMQOPBD-CISYCMJJSA-N
MW352.48 g/mol
LogP3.46
Rot. Bonds3

About 4-[4-[(3S)-7-methoxy-3,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl]morpholine

4-[4-[(3S)-7-methoxy-3,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl]morpholine (PubChem CID 163823891) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-[4-[(3S)-7-methoxy-3,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[(3S)-7-methoxy-3,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl]morpholine
PubChem CID163823891
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name4-[4-[(3S)-7-methoxy-3,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl]morpholine
SMILESCOc1cc2c(cc1C)C[C@H](C)NC2c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H28N2O2/c1-15-12-18-13-16(2)23-22(20(18)14-21(15)25-3)17-4-6-19(7-5-17)24-8-10-26-11-9-24/h4-7,12,14,16,22-23H,8-11,13H2,1-3H3/t16-,22?/m0/s1
InChIKeyFAZFOUVQMQOPBD-CISYCMJJSA-N
XLogP3.46
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 4-[4-[(3S)-7-methoxy-3,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[(1S,3S)-6-methoxy-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]phenyl]morpholine
CID 139446491
7-methoxy-8-methyl-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 57012678
4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine
CID 166443931
CID 163823888
CID 163823888
4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine
CID 110316268
4-[4-(1,1-dimethoxyethyl)-3-methoxyphenyl]morpholine
CID 174708451
bis((2-methoxy-4-morpholin-4-ylphenyl)diazene);chloride
CID 123629300
4-[3,5-dimethoxy-4-[(2-methoxy-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
CID 135200868
methyl (4S)-6-methyl-4-(4-morpholin-4-ylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7777417
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
(1R,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 96722646
6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64687418

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3S)-7-methoxy-3,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[(3S)-7-methoxy-3,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl]morpholine (CID 163823891) is 4-[4-[(3S)-7-methoxy-3,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[(3S)-7-methoxy-3,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[(3S)-7-methoxy-3,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl]morpholine is COc1cc2c(cc1C)C[C@H](C)NC2c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-[4-[(3S)-7-methoxy-3,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl]morpholine?
The InChIKey is FAZFOUVQMQOPBD-CISYCMJJSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-15-12-18-13-16(2)23-22(20(18)14-21(15)25-3)17-4-6-19(7-5-17)24-8-10-26-11-9-24/h4-7,12,14,16,22-23H,8-11,13H2,1-3H3/t16-,22?/m0/s1.
What are the key properties of 4-[4-[(3S)-7-methoxy-3,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl]morpholine?
4-[4-[(3S)-7-methoxy-3,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl]morpholine has a molecular weight of 352.48 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3S)-7-methoxy-3,6-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl]morpholine is sourced from PubChem (CID 163823891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).