2-[2-(1H-inden-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline

C20H21N — CID 134136246

IUPAC2-[2-(1H-inden-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline
SMILESC1=C(CCN2CCc3ccccc3C2)Cc2ccccc21
InChIInChI=1S/C20H21N/c1-4-8-20-15-21(12-10-17(20)5-1)11-9-16-13-18-6-2-3-7-19(18)14-16/h1-8,13H,9-12,14-15H2
InChIKeyCPTMQUFMCPDSBM-UHFFFAOYSA-N
MW275.40 g/mol
LogP4.07
Rot. Bonds3

About 2-[2-(1H-inden-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline

2-[2-(1H-inden-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 134136246) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[2-(1H-inden-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[2-(1H-inden-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline
PubChem CID134136246
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC Name2-[2-(1H-inden-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline
SMILESC1=C(CCN2CCc3ccccc3C2)Cc2ccccc21
InChIInChI=1S/C20H21N/c1-4-8-20-15-21(12-10-17(20)5-1)11-9-16-13-18-6-2-3-7-19(18)14-16/h1-8,13H,9-12,14-15H2
InChIKeyCPTMQUFMCPDSBM-UHFFFAOYSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cyproheptadine
CID 2913
Phencyclidine
CID 6468
Cyproheptadine Hydrochloride
CID 13770
Phenindamine
CID 11291
Setiptiline
CID 5205
Naftifine
CID 47641
Phencyclidine Hydrochloride
CID 9795678
1-Benzyl-1,2,3,4-Tetrahydroisoquinoline
CID 98468
Azapetine
CID 8966
Fenpiprane
CID 197785
1,4-Dibenzylpiperazine
CID 200601
2-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 15362

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-inden-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[2-(1H-inden-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline (CID 134136246) is 2-[2-(1H-inden-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[2-(1H-inden-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[2-(1H-inden-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline is C1=C(CCN2CCc3ccccc3C2)Cc2ccccc21.
What is the InChIKey of 2-[2-(1H-inden-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is CPTMQUFMCPDSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-4-8-20-15-21(12-10-17(20)5-1)11-9-16-13-18-6-2-3-7-19(18)14-16/h1-8,13H,9-12,14-15H2.
What are the key properties of 2-[2-(1H-inden-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline?
2-[2-(1H-inden-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 275.40 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-inden-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 134136246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).