6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline

C14H21N — CID 155395760

IUPAC6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCCc1cc2c(cc1CC)CN(C)CC2
InChIInChI=1S/C14H21N/c1-4-11-8-13-6-7-15(3)10-14(13)9-12(11)5-2/h8-9H,4-7,10H2,1-3H3
InChIKeyIOMNLFCPIMSZCX-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.80
Rot. Bonds2

About 6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline

6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 155395760) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID155395760
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCCc1cc2c(cc1CC)CN(C)CC2
InChIInChI=1S/C14H21N/c1-4-11-8-13-6-7-15(3)10-14(13)9-12(11)5-2/h8-9H,4-7,10H2,1-3H3
InChIKeyIOMNLFCPIMSZCX-UHFFFAOYSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 134564878
8-ethyl-2,6-dimethyl-3,4-dihydro-1H-isoquinoline
CID 170085418
iodomethane;2-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol
CID 23621205
6-but-3-enyl-2,7-dimethyl-3,4-dihydro-1H-isoquinoline
CID 123769197
7-tert-butyl-5-ethyl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 171575407
6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 134564645
7-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 84703157
4-[(7-ethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine
CID 112721569
8-methyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline
CID 110457273
7-amino-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 84656604
7-methoxy-2-methyl-6-(piperazin-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 83956913
6-ethoxy-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 3029133

Frequently Asked Questions

What is the IUPAC name of 6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline (CID 155395760) is 6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline is CCc1cc2c(cc1CC)CN(C)CC2.
What is the InChIKey of 6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is IOMNLFCPIMSZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-4-11-8-13-6-7-15(3)10-14(13)9-12(11)5-2/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline?
6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 203.33 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 155395760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).