3-(2-methylpropyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline

C19H23N — CID 123461490

IUPAC3-(2-methylpropyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)CC1Cc2ccccc2C(c2ccccc2)N1
InChIInChI=1S/C19H23N/c1-14(2)12-17-13-16-10-6-7-11-18(16)19(20-17)15-8-4-3-5-9-15/h3-11,14,17,19-20H,12-13H2,1-2H3
InChIKeyGSFFFKMMOJJHOZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.34
Rot. Bonds3

About 3-(2-methylpropyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline

3-(2-methylpropyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 123461490) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID123461490
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name3-(2-methylpropyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)CC1Cc2ccccc2C(c2ccccc2)N1
InChIInChI=1S/C19H23N/c1-14(2)12-17-13-16-10-6-7-11-18(16)19(20-17)15-8-4-3-5-9-15/h3-11,14,17,19-20H,12-13H2,1-2H3
InChIKeyGSFFFKMMOJJHOZ-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,3R)-3-ethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 101228506
(3R)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 59084899
(1R,3R)-3-ethyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 101228516
3-ethyl-1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 83970505
3-(2-methylpropyl)-7-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 63489421
3-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 64686607
5-ethyl-3-phenylpiperazin-2-one
CID 82396570
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
(2S,3R)-2-(2-methylpropyl)-3-phenylpyrrolidine
CID 101397686
3-(2-methylpropyl)-2,3-dihydroinden-1-one
CID 63820625
(2S,3S)-2-(2-methylpropyl)-3-phenylpyrrolidine
CID 101397684
2,3-bis(2-methylpropyl)-5-phenylimidazolidin-4-one
CID 83243088

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-(2-methylpropyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline (CID 123461490) is 3-(2-methylpropyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-(2-methylpropyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-(2-methylpropyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline is CC(C)CC1Cc2ccccc2C(c2ccccc2)N1.
What is the InChIKey of 3-(2-methylpropyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is GSFFFKMMOJJHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-14(2)12-17-13-16-10-6-7-11-18(16)19(20-17)15-8-4-3-5-9-15/h3-11,14,17,19-20H,12-13H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
3-(2-methylpropyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 265.40 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 123461490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).