7-deuterio-2-methyl-3,4-dihydro-1H-isoquinoline

C10H13N — CID 175786107

IUPAC7-deuterio-2-methyl-3,4-dihydro-1H-isoquinoline
SMILES[2H]c1ccc2c(c1)CN(C)CC2
InChIInChI=1S/C10H13N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5H,6-8H2,1H3/i3D
InChIKeyKYXSVGVQGFPNRQ-WFVSFCRTSA-N
MW148.23 g/mol
LogP1.67
Rot. Bonds

About 7-deuterio-2-methyl-3,4-dihydro-1H-isoquinoline

7-deuterio-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 175786107) has the molecular formula C10H13N and a molecular weight of 148.23 g/mol. Its IUPAC name is 7-deuterio-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name7-deuterio-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID175786107
Molecular FormulaC10H13N
Molecular Weight148.23 g/mol
Exact Mass148.11
IUPAC Name7-deuterio-2-methyl-3,4-dihydro-1H-isoquinoline
SMILES[2H]c1ccc2c(c1)CN(C)CC2
InChIInChI=1S/C10H13N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5H,6-8H2,1H3/i3D
InChIKeyKYXSVGVQGFPNRQ-WFVSFCRTSA-N
XLogP1.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116
methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874
7-deuterio-2-methylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 175981728
2-methyl-3,4-dihydro-1H-isoquinoline;propane;prop-1-ene
CID 143297681
methyl acetate;2-methyl-3,4-dihydro-1H-isoquinoline
CID 91290502
hydrogen sulfate;hydron;2-methyl-3,4-dihydro-1H-isoquinoline
CID 173214818
2-methyl-3,4,5,6,7,8-hexahydro-1H-2-benzazecine
CID 14903383
6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one
CID 168786379
2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline
CID 157487706
7-deuterio-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 175826905
6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline
CID 53408381
4-methylbenzenesulfonic acid;2-methyl-3,4-dihydro-1H-isoquinoline
CID 86651819

Frequently Asked Questions

What is the IUPAC name of 7-deuterio-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 7-deuterio-2-methyl-3,4-dihydro-1H-isoquinoline (CID 175786107) is 7-deuterio-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 7-deuterio-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 7-deuterio-2-methyl-3,4-dihydro-1H-isoquinoline is [2H]c1ccc2c(c1)CN(C)CC2.
What is the InChIKey of 7-deuterio-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is KYXSVGVQGFPNRQ-WFVSFCRTSA-N. The full InChI is InChI=1S/C10H13N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5H,6-8H2,1H3/i3D.
What are the key properties of 7-deuterio-2-methyl-3,4-dihydro-1H-isoquinoline?
7-deuterio-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 148.23 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-deuterio-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 175786107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).