4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

C18H21N — CID 104505031

IUPAC4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCCc1ccc(CC2CNCc3ccccc32)cc1
InChIInChI=1S/C18H21N/c1-2-14-7-9-15(10-8-14)11-17-13-19-12-16-5-3-4-6-18(16)17/h3-10,17,19H,2,11-13H2,1H3
InChIKeyJFEQMBMYIOITDP-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.68
Rot. Bonds3

About 4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 104505031) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID104505031
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCCc1ccc(CC2CNCc3ccccc32)cc1
InChIInChI=1S/C18H21N/c1-2-14-7-9-15(10-8-14)11-17-13-19-12-16-5-3-4-6-18(16)17/h3-10,17,19H,2,11-13H2,1H3
InChIKeyJFEQMBMYIOITDP-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(3,4-difluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104505023
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 64989430
4-[(2,5-difluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104504996
N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine
CID 65262509
4-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65262220
4-(methylsulfonylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104290
4-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 114522674
4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 106779335
4-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104505002
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-2-amine
CID 65262461
4-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104504939
6-ethyl-1,2,3,4-tetrahydroisoquinolin-4-ol
CID 82048510

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 104505031) is 4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline is CCc1ccc(CC2CNCc3ccccc32)cc1.
What is the InChIKey of 4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is JFEQMBMYIOITDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-2-14-7-9-15(10-8-14)11-17-13-19-12-16-5-3-4-6-18(16)17/h3-10,17,19H,2,11-13H2,1H3.
What are the key properties of 4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline?
4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 251.37 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 104505031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).