2-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline

C19H22N2 — CID 139381612

IUPAC2-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cccc(CN3CCc4ccccc4C3)c2C1
InChIInChI=1S/C19H22N2/c1-20-11-17-7-4-8-18(19(17)14-20)13-21-10-9-15-5-2-3-6-16(15)12-21/h2-8H,9-14H2,1H3
InChIKeyPAVYCNQASRWLDB-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.19
Rot. Bonds2

About 2-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline

2-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 139381612) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID139381612
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name2-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2cccc(CN3CCc4ccccc4C3)c2C1
InChIInChI=1S/C19H22N2/c1-20-11-17-7-4-8-18(19(17)14-20)13-21-10-9-15-5-2-3-6-16(15)12-21/h2-8H,9-14H2,1H3
InChIKeyPAVYCNQASRWLDB-UHFFFAOYSA-N
XLogP3.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methyl-1,3-dihydroisoindol-4-yl)methanamine
CID 175530857
methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116
methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874
2-[(2-methyl-1H-pyrrol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 141136072
2-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 29029237
2-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-2-ol
CID 105474711
2-ethyl-5-propyl-3,4-dihydro-1H-isoquinoline
CID 143173694
5-bromo-2-[(2-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 46256877
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-methylpyrazole-5-carboxylic acid
CID 117216576
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4,6-dimethylphenol
CID 71944660
2-[(2-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559625

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline (CID 139381612) is 2-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline is CN1Cc2cccc(CN3CCc4ccccc4C3)c2C1.
What is the InChIKey of 2-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is PAVYCNQASRWLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-20-11-17-7-4-8-18(19(17)14-20)13-21-10-9-15-5-2-3-6-16(15)12-21/h2-8H,9-14H2,1H3.
What are the key properties of 2-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline?
2-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 278.40 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 139381612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).