1,2-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline

C21H21N — CID 68998095

IUPAC1,2-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCC1c2ccccc2C(c2ccc3ccccc3c2)CN1C
InChIInChI=1S/C21H21N/c1-15-19-9-5-6-10-20(19)21(14-22(15)2)18-12-11-16-7-3-4-8-17(16)13-18/h3-13,15,21H,14H2,1-2H3
InChIKeyDKOMDMNIVULWFH-UHFFFAOYSA-N
MW287.41 g/mol
LogP4.98
Rot. Bonds1

About 1,2-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline

1,2-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 68998095) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 1,2-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1,2-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
PubChem CID68998095
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name1,2-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCC1c2ccccc2C(c2ccc3ccccc3c2)CN1C
InChIInChI=1S/C21H21N/c1-15-19-9-5-6-10-20(19)21(14-22(15)2)18-12-11-16-7-3-4-8-17(16)13-18/h3-13,15,21H,14H2,1-2H3
InChIKeyDKOMDMNIVULWFH-UHFFFAOYSA-N
XLogP4.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 129384739
(1S,4S)-4-naphthalen-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 154621122
(1S,3S)-N,N-dimethyl-3-naphthalen-2-yl-2,3-dihydro-1H-inden-1-amine
CID 10171662
(Z)-but-2-enedioic acid;8-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-1-ol
CID 157172763
2-[(1R)-3-cyclopropyl-2,3-dihydro-1H-inden-1-yl]naphthalene
CID 142137926
[4-(3,4-difluorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82583874
2-[(1R)-2,3-dihydro-1H-inden-1-yl]naphthalene;methoxymethane
CID 142137917
(3R)-1-methyl-3-naphthalen-2-ylpyrrolidine
CID 97355477
8-methoxy-2-methyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol
CID 68999624
2-methyl-4-naphthalen-2-yl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 68996731
7-[(4S)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]isoquinoline
CID 129385280
7-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)isoquinoline
CID 68998146

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1,2-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline (CID 68998095) is 1,2-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1,2-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1,2-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline is CC1c2ccccc2C(c2ccc3ccccc3c2)CN1C.
What is the InChIKey of 1,2-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is DKOMDMNIVULWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-15-19-9-5-6-10-20(19)21(14-22(15)2)18-12-11-16-7-3-4-8-17(16)13-18/h3-13,15,21H,14H2,1-2H3.
What are the key properties of 1,2-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline?
1,2-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 287.41 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68998095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).