4-[(2-ethyl-1-propyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine

C19H30N2O — CID 112721612

IUPAC4-[(2-ethyl-1-propyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine
SMILESCCCC1c2ccc(CN3CCOCC3)cc2CCN1CC
InChIInChI=1S/C19H30N2O/c1-3-5-19-18-7-6-16(15-20-10-12-22-13-11-20)14-17(18)8-9-21(19)4-2/h6-7,14,19H,3-5,8-13,15H2,1-2H3
InChIKeySEKOXSQKFLGXCL-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.24
Rot. Bonds5

About 4-[(2-ethyl-1-propyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine

4-[(2-ethyl-1-propyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine (PubChem CID 112721612) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 4-[(2-ethyl-1-propyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2-ethyl-1-propyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine
PubChem CID112721612
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name4-[(2-ethyl-1-propyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine
SMILESCCCC1c2ccc(CN3CCOCC3)cc2CCN1CC
InChIInChI=1S/C19H30N2O/c1-3-5-19-18-7-6-16(15-20-10-12-22-13-11-20)14-17(18)8-9-21(19)4-2/h6-7,14,19H,3-5,8-13,15H2,1-2H3
InChIKeySEKOXSQKFLGXCL-UHFFFAOYSA-N
XLogP3.24
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(2-ethyl-1-propyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]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

2-ethyl-6-(piperazin-1-ylmethyl)-1-propyl-3,4-dihydro-1H-isoquinoline
CID 83956680
1,2-diethyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 112721608
1-(1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)-N,N-dimethylmethanamine
CID 112721605
(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol
CID 83956657
2-methoxy-5-(morpholin-4-ylmethyl)benzoic acid
CID 46785387
4-[(4-ethyl-3-methylphenyl)methyl]morpholine
CID 71052307
[2-ethoxy-4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 84754907
4-[(3-bromophenyl)methyl]morpholine;hydrochloride
CID 17249740
4-(3H-indol-5-ylmethyl)morpholine
CID 66987618
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
6-(morpholin-4-ylmethyl)-3,4-dihydro-1H-quinoline-2-thione
CID 141467183
4-[(4-fluoro-3-methoxyphenyl)methyl]morpholine
CID 71190630

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-1-propyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine?
The IUPAC name of 4-[(2-ethyl-1-propyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine (CID 112721612) is 4-[(2-ethyl-1-propyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine.
What is the SMILES notation for 4-[(2-ethyl-1-propyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine?
The canonical SMILES for 4-[(2-ethyl-1-propyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine is CCCC1c2ccc(CN3CCOCC3)cc2CCN1CC.
What is the InChIKey of 4-[(2-ethyl-1-propyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine?
The InChIKey is SEKOXSQKFLGXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-3-5-19-18-7-6-16(15-20-10-12-22-13-11-20)14-17(18)8-9-21(19)4-2/h6-7,14,19H,3-5,8-13,15H2,1-2H3.
What are the key properties of 4-[(2-ethyl-1-propyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine?
4-[(2-ethyl-1-propyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine has a molecular weight of 302.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-1-propyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine is sourced from PubChem (CID 112721612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).