2-methyl-N-[[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]methyl]propan-2-amine

C15H23N5O — CID 62737935

IUPAC2-methyl-N-[[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)Oc1ccc(-n2nnnc2CNC(C)(C)C)cc1
InChIInChI=1S/C15H23N5O/c1-11(2)21-13-8-6-12(7-9-13)20-14(17-18-19-20)10-16-15(3,4)5/h6-9,11,16H,10H2,1-5H3
InChIKeyZLTQOKDSCOZYFX-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.34
Rot. Bonds5

About 2-methyl-N-[[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]methyl]propan-2-amine

2-methyl-N-[[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 62737935) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-methyl-N-[[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
PubChem CID62737935
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-methyl-N-[[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)Oc1ccc(-n2nnnc2CNC(C)(C)C)cc1
InChIInChI=1S/C15H23N5O/c1-11(2)21-13-8-6-12(7-9-13)20-14(17-18-19-20)10-16-15(3,4)5/h6-9,11,16H,10H2,1-5H3
InChIKeyZLTQOKDSCOZYFX-UHFFFAOYSA-N
XLogP2.34
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62736275
N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 55109238
1-[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]ethanamine
CID 103084802
2-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol
CID 79811196
3,4,5-trimethoxy-N-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]aniline
CID 102263409
1-(5-methyl-1,3-oxazol-2-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 103893693
N-[[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 107603622
1-[1-(4-chlorophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62736070
1-[1-(4-iodophenyl)tetrazol-5-yl]-N-methylmethanamine
CID 62737573
N-[[1-(2-butoxyethyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62761177
N-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine
CID 60702902
[1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 119106406

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]methyl]propan-2-amine (CID 62737935) is 2-methyl-N-[[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]methyl]propan-2-amine is CC(C)Oc1ccc(-n2nnnc2CNC(C)(C)C)cc1.
What is the InChIKey of 2-methyl-N-[[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is ZLTQOKDSCOZYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-11(2)21-13-8-6-12(7-9-13)20-14(17-18-19-20)10-16-15(3,4)5/h6-9,11,16H,10H2,1-5H3.
What are the key properties of 2-methyl-N-[[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(4-propan-2-yloxyphenyl)tetrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62737935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).