2-[(1S)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]-3,4-dihydro-1H-isoquinoline

C22H27N5 — CID 1454839

IUPAC2-[(1S)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]-3,4-dihydro-1H-isoquinoline
SMILESCC(C)[C@@H](c1nnnn1CCc1ccccc1)N1CCc2ccccc2C1
InChIInChI=1S/C22H27N5/c1-17(2)21(26-14-13-19-10-6-7-11-20(19)16-26)22-23-24-25-27(22)15-12-18-8-4-3-5-9-18/h3-11,17,21H,12-16H2,1-2H3/t21-/m0/s1
InChIKeyQVWJBKMCUMJFFA-NRFANRHFSA-N
MW361.49 g/mol
LogP3.67
Rot. Bonds6

About 2-[(1S)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]-3,4-dihydro-1H-isoquinoline

2-[(1S)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 1454839) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[(1S)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[(1S)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]-3,4-dihydro-1H-isoquinoline
PubChem CID1454839
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name2-[(1S)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]-3,4-dihydro-1H-isoquinoline
SMILESCC(C)[C@@H](c1nnnn1CCc1ccccc1)N1CCc2ccccc2C1
InChIInChI=1S/C22H27N5/c1-17(2)21(26-14-13-19-10-6-7-11-20(19)16-26)22-23-24-25-27(22)15-12-18-8-4-3-5-9-18/h3-11,17,21H,12-16H2,1-2H3/t21-/m0/s1
InChIKeyQVWJBKMCUMJFFA-NRFANRHFSA-N
XLogP3.67
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(1S)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine
CID 3213474
2-[(4-methoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 3201650
4-methyl-1-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine
CID 3213475
2-[(R)-(3,4-dimethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 1433706
4-[3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-2-methoxyphenol
CID 3201686
1-[(1S)-3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]-4-[(1R)-3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
CID 98111409
2-[[1-(2-phenylethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 858122
1-methyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine
CID 3210459
2-[(S)-(4-fluorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 7382969
2-[(R)-(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 7383007
N-ethyl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethanamine
CID 103085404
1-[(R)-(2-chlorophenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 1449183

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[(1S)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]-3,4-dihydro-1H-isoquinoline (CID 1454839) is 2-[(1S)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[(1S)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[(1S)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]-3,4-dihydro-1H-isoquinoline is CC(C)[C@@H](c1nnnn1CCc1ccccc1)N1CCc2ccccc2C1.
What is the InChIKey of 2-[(1S)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is QVWJBKMCUMJFFA-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27N5/c1-17(2)21(26-14-13-19-10-6-7-11-20(19)16-26)22-23-24-25-27(22)15-12-18-8-4-3-5-9-18/h3-11,17,21H,12-16H2,1-2H3/t21-/m0/s1.
What are the key properties of 2-[(1S)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]-3,4-dihydro-1H-isoquinoline?
2-[(1S)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 361.49 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 1454839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).