3-ethyl-1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline

C19H23N — CID 83970505

IUPAC3-ethyl-1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1Cc2ccccc2C(CCc2ccccc2)N1
InChIInChI=1S/C19H23N/c1-2-17-14-16-10-6-7-11-18(16)19(20-17)13-12-15-8-4-3-5-9-15/h3-11,17,19-20H,2,12-14H2,1H3
InChIKeyFDCNMCPBMSRBGK-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.28
Rot. Bonds4

About 3-ethyl-1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline

3-ethyl-1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 83970505) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-ethyl-1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-ethyl-1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID83970505
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name3-ethyl-1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1Cc2ccccc2C(CCc2ccccc2)N1
InChIInChI=1S/C19H23N/c1-2-17-14-16-10-6-7-11-18(16)19(20-17)13-12-15-8-4-3-5-9-15/h3-11,17,19-20H,2,12-14H2,1H3
InChIKeyFDCNMCPBMSRBGK-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-ethyl-1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline (CID 83970505) is 3-ethyl-1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-ethyl-1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-ethyl-1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline is CCC1Cc2ccccc2C(CCc2ccccc2)N1.
What is the InChIKey of 3-ethyl-1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is FDCNMCPBMSRBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-2-17-14-16-10-6-7-11-18(16)19(20-17)13-12-15-8-4-3-5-9-15/h3-11,17,19-20H,2,12-14H2,1H3.
What are the key properties of 3-ethyl-1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline?
3-ethyl-1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 265.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 83970505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).