4-[(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine

C16H23N5O — CID 94086648

IUPAC4-[(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine
SMILESCC[C@](C)(c1nnnn1-c1ccccc1C)N1CCOCC1
InChIInChI=1S/C16H23N5O/c1-4-16(3,20-9-11-22-12-10-20)15-17-18-19-21(15)14-8-6-5-7-13(14)2/h5-8H,4,9-12H2,1-3H3/t16-/m1/s1
InChIKeyJLNNYIRQMLYIOP-MRXNPFEDSA-N
MW301.39 g/mol
LogP1.93
Rot. Bonds4

About 4-[(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine

4-[(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine (PubChem CID 94086648) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine.

Molecular Properties

Compound Name4-[(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine
PubChem CID94086648
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name4-[(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine
SMILESCC[C@](C)(c1nnnn1-c1ccccc1C)N1CCOCC1
InChIInChI=1S/C16H23N5O/c1-4-16(3,20-9-11-22-12-10-20)15-17-18-19-21(15)14-8-6-5-7-13(14)2/h5-8H,4,9-12H2,1-3H3/t16-/m1/s1
InChIKeyJLNNYIRQMLYIOP-MRXNPFEDSA-N
XLogP1.93
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]morpholine
CID 51695117
4-[(2R)-2-(1-phenyltetrazol-5-yl)butan-2-yl]morpholine
CID 51698124
5-[dichloro-[1-(2-methylphenyl)tetrazol-5-yl]methyl]-1-(2-methylphenyl)tetrazole
CID 3093546
N-methyl-2-[1-(2-methylphenyl)tetrazol-5-yl]propan-2-amine
CID 53009733
2,2,2-trifluoro-N-methyl-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]acetamide
CID 171981923
4-[4-tert-butyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]morpholine
CID 50812567
2-methoxy-N-[2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]aniline
CID 50812616
2-(2-methylphenyl)-2-morpholin-4-ylpropan-1-amine
CID 54775990
[1-(2-methylphenyl)tetrazol-5-yl]methanamine
CID 62737009
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 8799351
(2S)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylbutan-2-amine
CID 7345033
3-(2-methylphenyl)-3-morpholin-4-ylbutanoic acid
CID 64527538

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine?
The IUPAC name of 4-[(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine (CID 94086648) is 4-[(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine.
What is the SMILES notation for 4-[(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine?
The canonical SMILES for 4-[(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine is CC[C@](C)(c1nnnn1-c1ccccc1C)N1CCOCC1.
What is the InChIKey of 4-[(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine?
The InChIKey is JLNNYIRQMLYIOP-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23N5O/c1-4-16(3,20-9-11-22-12-10-20)15-17-18-19-21(15)14-8-6-5-7-13(14)2/h5-8H,4,9-12H2,1-3H3/t16-/m1/s1.
What are the key properties of 4-[(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine?
4-[(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine has a molecular weight of 301.39 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]butan-2-yl]morpholine is sourced from PubChem (CID 94086648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).