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

C13H19N5O — CID 55109238

IUPACN-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCCOc1ccc(-n2nnnc2CNC(C)C)cc1
InChIInChI=1S/C13H19N5O/c1-4-19-12-7-5-11(6-8-12)18-13(15-16-17-18)9-14-10(2)3/h5-8,10,14H,4,9H2,1-3H3
InChIKeyMBCNCZLUHGLPLW-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.56
Rot. Bonds6

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

N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 55109238) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
PubChem CID55109238
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
SMILESCCOc1ccc(-n2nnnc2CNC(C)C)cc1
InChIInChI=1S/C13H19N5O/c1-4-19-12-7-5-11(6-8-12)18-13(15-16-17-18)9-14-10(2)3/h5-8,10,14H,4,9H2,1-3H3
InChIKeyMBCNCZLUHGLPLW-UHFFFAOYSA-N
XLogP1.56
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine (CID 55109238) is N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine is CCOc1ccc(-n2nnnc2CNC(C)C)cc1.
What is the InChIKey of N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is MBCNCZLUHGLPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-19-12-7-5-11(6-8-12)18-13(15-16-17-18)9-14-10(2)3/h5-8,10,14H,4,9H2,1-3H3.
What are the key properties of N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine?
N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 261.33 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 55109238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).