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

C15H18N2 — CID 141136072

IUPAC2-[(2-methyl-1H-pyrrol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCc1[nH]ccc1CN1CCc2ccccc2C1
InChIInChI=1S/C15H18N2/c1-12-14(6-8-16-12)10-17-9-7-13-4-2-3-5-15(13)11-17/h2-6,8,16H,7,9-11H2,1H3
InChIKeyIOJIYJQABMPVDL-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.88
Rot. Bonds2

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

2-[(2-methyl-1H-pyrrol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 141136072) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[(2-methyl-1H-pyrrol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[(2-methyl-1H-pyrrol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID141136072
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2-[(2-methyl-1H-pyrrol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCc1[nH]ccc1CN1CCc2ccccc2C1
InChIInChI=1S/C15H18N2/c1-12-14(6-8-16-12)10-17-9-7-13-4-2-3-5-15(13)11-17/h2-6,8,16H,7,9-11H2,1H3
InChIKeyIOJIYJQABMPVDL-UHFFFAOYSA-N
XLogP2.88
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[2-(2-phenylethyl)-1H-pyrrol-3-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 141135041
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4,6-dimethylphenol
CID 71944660
2-[(2-methyl-1,3-dihydroisoindol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 139381612
2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 3353508
2-[(2-methylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 140988917
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3,5-dimethylphenol
CID 45486668
2-[[1-(2-methoxyethyl)-2-methylpyrrol-3-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 141136022
2-[[2-(2H-tetrazol-5-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 29029237
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(trifluoromethyl)phenol
CID 117220761
2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 791234
2-[(4-tert-butylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 118072735
2-[[1-[(2,5-dimethylphenyl)methyl]-2-methylpyrrol-3-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 141136078

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1H-pyrrol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[(2-methyl-1H-pyrrol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline (CID 141136072) is 2-[(2-methyl-1H-pyrrol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[(2-methyl-1H-pyrrol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[(2-methyl-1H-pyrrol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline is Cc1[nH]ccc1CN1CCc2ccccc2C1.
What is the InChIKey of 2-[(2-methyl-1H-pyrrol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is IOJIYJQABMPVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-12-14(6-8-16-12)10-17-9-7-13-4-2-3-5-15(13)11-17/h2-6,8,16H,7,9-11H2,1H3.
What are the key properties of 2-[(2-methyl-1H-pyrrol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline?
2-[(2-methyl-1H-pyrrol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 226.32 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1H-pyrrol-3-yl)methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 141136072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).