4-[4-[(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine;propane

C24H34N2O — CID 143265481

IUPAC4-[4-[(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine;propane
SMILESCCC.Cc1cccc2c1CCN(Cc1ccc(N3CCOCC3)cc1)C2
InChIInChI=1S/C21H26N2O.C3H8/c1-17-3-2-4-19-16-22(10-9-21(17)19)15-18-5-7-20(8-6-18)23-11-13-24-14-12-23;1-3-2/h2-8H,9-16H2,1H3;3H2,1-2H3
InChIKeyLHSVSBHHECIXAP-UHFFFAOYSA-N
MW366.55 g/mol
LogP4.81
Rot. Bonds3

About 4-[4-[(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine;propane

4-[4-[(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine;propane (PubChem CID 143265481) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is 4-[4-[(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine;propane.

Molecular Properties

Compound Name4-[4-[(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine;propane
PubChem CID143265481
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name4-[4-[(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine;propane
SMILESCCC.Cc1cccc2c1CCN(Cc1ccc(N3CCOCC3)cc1)C2
InChIInChI=1S/C21H26N2O.C3H8/c1-17-3-2-4-19-16-22(10-9-21(17)19)15-18-5-7-20(8-6-18)23-11-13-24-14-12-23;1-3-2/h2-8H,9-16H2,1H3;3H2,1-2H3
InChIKeyLHSVSBHHECIXAP-UHFFFAOYSA-N
XLogP4.81
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine
CID 59734346
ethane;2-ethyl-5-methyl-3,4-dihydro-1H-isoquinoline
CID 162382873
4-(4-ethylphenyl)morpholine
CID 20576442
ethane;5-methyl-2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline
CID 143140384
4-benzyl-7-morpholin-4-yl-3,5-dihydro-2H-1,4-benzoxazepine
CID 25123076
2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110456723
[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methanamine
CID 145042907
4-[6-[(4-fluorophenyl)methyl]-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072197
6-[(4-morpholin-4-ylphenyl)methyl]-2-sulfanylidene-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 24927068
4-(4-benzylphenyl)morpholine
CID 11514364
2-[(3-chloro-4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 106817889
7-[(4-morpholin-4-ylphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681121

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine;propane?
The IUPAC name of 4-[4-[(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine;propane (CID 143265481) is 4-[4-[(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine;propane.
What is the SMILES notation for 4-[4-[(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine;propane?
The canonical SMILES for 4-[4-[(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine;propane is CCC.Cc1cccc2c1CCN(Cc1ccc(N3CCOCC3)cc1)C2.
What is the InChIKey of 4-[4-[(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine;propane?
The InChIKey is LHSVSBHHECIXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O.C3H8/c1-17-3-2-4-19-16-22(10-9-21(17)19)15-18-5-7-20(8-6-18)23-11-13-24-14-12-23;1-3-2/h2-8H,9-16H2,1H3;3H2,1-2H3.
What are the key properties of 4-[4-[(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine;propane?
4-[4-[(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine;propane has a molecular weight of 366.55 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine;propane is sourced from PubChem (CID 143265481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).