(4S)-4-(1H-inden-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline

C19H19N — CID 129364261

IUPAC(4S)-4-(1H-inden-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2[C@H](C2=Cc3ccccc3C2)C1
InChIInChI=1S/C19H19N/c1-20-12-16-8-4-5-9-18(16)19(13-20)17-10-14-6-2-3-7-15(14)11-17/h2-10,19H,11-13H2,1H3/t19-/m0/s1
InChIKeyYCHHHEDKWBSKSJ-IBGZPJMESA-N
MW261.37 g/mol
LogP3.86
Rot. Bonds1

About (4S)-4-(1H-inden-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline

(4S)-4-(1H-inden-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 129364261) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is (4S)-4-(1H-inden-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name(4S)-4-(1H-inden-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID129364261
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name(4S)-4-(1H-inden-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2[C@H](C2=Cc3ccccc3C2)C1
InChIInChI=1S/C19H19N/c1-20-12-16-8-4-5-9-18(16)19(13-20)17-10-14-6-2-3-7-15(14)11-17/h2-10,19H,11-13H2,1H3/t19-/m0/s1
InChIKeyYCHHHEDKWBSKSJ-IBGZPJMESA-N
XLogP3.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-indolizin-7-yl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68995695
(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 129384739
1-[2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione
CID 11565973
4-indolizin-6-yl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 11615894
trimethyl-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)silane
CID 13058280
2-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]quinazoline
CID 129391704
6-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)quinoxaline
CID 68996107
7-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-1,3-benzothiazole
CID 11687769
4-(4-fluoro-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68994272
7-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline
CID 68998146
6-[(4R)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]cinnoline
CID 129394089
7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]isoquinoline
CID 129385280

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1H-inden-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of (4S)-4-(1H-inden-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline (CID 129364261) is (4S)-4-(1H-inden-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for (4S)-4-(1H-inden-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for (4S)-4-(1H-inden-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline is CN1Cc2ccccc2[C@H](C2=Cc3ccccc3C2)C1.
What is the InChIKey of (4S)-4-(1H-inden-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is YCHHHEDKWBSKSJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H19N/c1-20-12-16-8-4-5-9-18(16)19(13-20)17-10-14-6-2-3-7-15(14)11-17/h2-10,19H,11-13H2,1H3/t19-/m0/s1.
What are the key properties of (4S)-4-(1H-inden-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
(4S)-4-(1H-inden-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 261.37 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1H-inden-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 129364261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).