4-ethyl-1-methyl-3-(10-methyl-9,10-dihydrophenanthren-9-yl)-1,2,3,4-tetrahydroisoquinoline

C27H29N — CID 175633584

IUPAC4-ethyl-1-methyl-3-(10-methyl-9,10-dihydrophenanthren-9-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1c2ccccc2C(C)NC1C1c2ccccc2-c2ccccc2C1C
InChIInChI=1S/C27H29N/c1-4-19-22-13-8-6-12-21(22)18(3)28-27(19)26-17(2)20-11-5-7-14-23(20)24-15-9-10-16-25(24)26/h5-19,26-28H,4H2,1-3H3
InChIKeyZCDZPQXZXSVAAL-UHFFFAOYSA-N
MW367.54 g/mol
LogP6.78
Rot. Bonds2

About 4-ethyl-1-methyl-3-(10-methyl-9,10-dihydrophenanthren-9-yl)-1,2,3,4-tetrahydroisoquinoline

4-ethyl-1-methyl-3-(10-methyl-9,10-dihydrophenanthren-9-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 175633584) has the molecular formula C27H29N and a molecular weight of 367.54 g/mol. Its IUPAC name is 4-ethyl-1-methyl-3-(10-methyl-9,10-dihydrophenanthren-9-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-ethyl-1-methyl-3-(10-methyl-9,10-dihydrophenanthren-9-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID175633584
Molecular FormulaC27H29N
Molecular Weight367.54 g/mol
Exact Mass367.23
IUPAC Name4-ethyl-1-methyl-3-(10-methyl-9,10-dihydrophenanthren-9-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1c2ccccc2C(C)NC1C1c2ccccc2-c2ccccc2C1C
InChIInChI=1S/C27H29N/c1-4-19-22-13-8-6-12-21(22)18(3)28-27(19)26-17(2)20-11-5-7-14-23(20)24-15-9-10-16-25(24)26/h5-19,26-28H,4H2,1-3H3
InChIKeyZCDZPQXZXSVAAL-UHFFFAOYSA-N
XLogP6.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.54
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methyl-3-(10-methyl-9,10-dihydrophenanthren-9-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-ethyl-1-methyl-3-(10-methyl-9,10-dihydrophenanthren-9-yl)-1,2,3,4-tetrahydroisoquinoline (CID 175633584) is 4-ethyl-1-methyl-3-(10-methyl-9,10-dihydrophenanthren-9-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-ethyl-1-methyl-3-(10-methyl-9,10-dihydrophenanthren-9-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-ethyl-1-methyl-3-(10-methyl-9,10-dihydrophenanthren-9-yl)-1,2,3,4-tetrahydroisoquinoline is CCC1c2ccccc2C(C)NC1C1c2ccccc2-c2ccccc2C1C.
What is the InChIKey of 4-ethyl-1-methyl-3-(10-methyl-9,10-dihydrophenanthren-9-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ZCDZPQXZXSVAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N/c1-4-19-22-13-8-6-12-21(22)18(3)28-27(19)26-17(2)20-11-5-7-14-23(20)24-15-9-10-16-25(24)26/h5-19,26-28H,4H2,1-3H3.
What are the key properties of 4-ethyl-1-methyl-3-(10-methyl-9,10-dihydrophenanthren-9-yl)-1,2,3,4-tetrahydroisoquinoline?
4-ethyl-1-methyl-3-(10-methyl-9,10-dihydrophenanthren-9-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 367.54 g/mol, XLogP of 6.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methyl-3-(10-methyl-9,10-dihydrophenanthren-9-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 175633584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).