7-ethoxy-6,8-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

C16H25NO3 — CID 112514013

IUPAC7-ethoxy-6,8-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCCOc1c(OC)cc2c(c1OC)C(C(C)C)NCC2
InChIInChI=1S/C16H25NO3/c1-6-20-15-12(18-4)9-11-7-8-17-14(10(2)3)13(11)16(15)19-5/h9-10,14,17H,6-8H2,1-5H3
InChIKeyYSRDQJWMEOUTMQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.95
Rot. Bonds5

About 7-ethoxy-6,8-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

7-ethoxy-6,8-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 112514013) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 7-ethoxy-6,8-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-ethoxy-6,8-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID112514013
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name7-ethoxy-6,8-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCCOc1c(OC)cc2c(c1OC)C(C(C)C)NCC2
InChIInChI=1S/C16H25NO3/c1-6-20-15-12(18-4)9-11-7-8-17-14(10(2)3)13(11)16(15)19-5/h9-10,14,17H,6-8H2,1-5H3
InChIKeyYSRDQJWMEOUTMQ-UHFFFAOYSA-N
XLogP2.95
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,8-dimethoxy-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline
CID 112514008
6,7,8-trimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 83970461
1-(2,6-dimethylphenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 3948451
6-ethoxy-1-(4-ethoxy-3-methoxyphenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 4318685
1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3351200
(1S)-1-(3,4-dimethoxyphenyl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 729177
1,10-dimethoxy-2,9-di(propan-2-yloxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 11350028
7-ethoxy-6-methoxy-1-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline
CID 3261265
6,7-diethoxy-1-(4-fluoro-3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 4662563
1-(4-bromophenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 5105093
6,7-diethoxy-1-[3-methoxy-4-(3-methylbutoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline
CID 5178474
7-ethoxy-6-methoxy-1-(2,4,5-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 5135970

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-6,8-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-ethoxy-6,8-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (CID 112514013) is 7-ethoxy-6,8-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-ethoxy-6,8-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-ethoxy-6,8-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is CCOc1c(OC)cc2c(c1OC)C(C(C)C)NCC2.
What is the InChIKey of 7-ethoxy-6,8-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is YSRDQJWMEOUTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-6-20-15-12(18-4)9-11-7-8-17-14(10(2)3)13(11)16(15)19-5/h9-10,14,17H,6-8H2,1-5H3.
What are the key properties of 7-ethoxy-6,8-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
7-ethoxy-6,8-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 279.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-6,8-dimethoxy-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 112514013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).