N-[(5,8-dimethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine

C16H26N2O2 — CID 83956970

IUPACN-[(5,8-dimethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
SMILESCCNCc1cc(OC)c2c(c1OC)CC(C)N(C)C2
InChIInChI=1S/C16H26N2O2/c1-6-17-9-12-8-15(19-4)14-10-18(3)11(2)7-13(14)16(12)20-5/h8,11,17H,6-7,9-10H2,1-5H3
InChIKeyXNIPTLDSSDJKDV-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.19
Rot. Bonds5

About N-[(5,8-dimethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine

N-[(5,8-dimethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine (PubChem CID 83956970) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(5,8-dimethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5,8-dimethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
PubChem CID83956970
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[(5,8-dimethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
SMILESCCNCc1cc(OC)c2c(c1OC)CC(C)N(C)C2
InChIInChI=1S/C16H26N2O2/c1-6-17-9-12-8-15(19-4)14-10-18(3)11(2)7-13(14)16(12)20-5/h8,11,17H,6-7,9-10H2,1-5H3
InChIKeyXNIPTLDSSDJKDV-UHFFFAOYSA-N
XLogP2.19
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5,8-dimethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine with MolForge

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Related Compounds

ethyl 6-[(2-hydroxyethylamino)methyl]-5,8-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 112721669
N-[(2-ethyl-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine
CID 83956744
methyl 6-(diethylaminomethyl)-5,8-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 112721685
ethyl 6-(ethylaminomethyl)-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 83957239
methyl 5,8-dimethoxy-6-(methylaminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 83956467
N-[(5-bromo-2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 96709381
N-[[(4R)-7-methoxy-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
CID 125047021
(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol
CID 84676076
N-[[(4R)-1-butyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl]methyl]ethanamine
CID 125047278
N-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]ethanamine chloride
CID 53347083
N-[(2-ethenyl-4,5-dimethoxyphenyl)methyl]ethanamine
CID 107430238
ethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane
CID 176965315

Frequently Asked Questions

What is the IUPAC name of N-[(5,8-dimethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine?
The IUPAC name of N-[(5,8-dimethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine (CID 83956970) is N-[(5,8-dimethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5,8-dimethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine?
The canonical SMILES for N-[(5,8-dimethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine is CCNCc1cc(OC)c2c(c1OC)CC(C)N(C)C2.
What is the InChIKey of N-[(5,8-dimethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine?
The InChIKey is XNIPTLDSSDJKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-17-9-12-8-15(19-4)14-10-18(3)11(2)7-13(14)16(12)20-5/h8,11,17H,6-7,9-10H2,1-5H3.
What are the key properties of N-[(5,8-dimethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine?
N-[(5,8-dimethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine has a molecular weight of 278.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,8-dimethoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]ethanamine is sourced from PubChem (CID 83956970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).