N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine

C17H19N5O — CID 17206261

IUPACN-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(Oc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C17H19N5O/c1-2-11-18-13-14-7-6-10-16(12-14)23-17-19-20-21-22(17)15-8-4-3-5-9-15/h3-10,12,18H,2,11,13H2,1H3
InChIKeyILWSQTPVJOAOCN-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.95
Rot. Bonds7

About N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine

N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine (PubChem CID 17206261) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine
PubChem CID17206261
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(Oc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C17H19N5O/c1-2-11-18-13-14-7-6-10-16(12-14)23-17-19-20-21-22(17)15-8-4-3-5-9-15/h3-10,12,18H,2,11,13H2,1H3
InChIKeyILWSQTPVJOAOCN-UHFFFAOYSA-N
XLogP2.95
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine
CID 17206385
N',N'-diethyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethane-1,2-diamine;dihydrochloride
CID 17216139
N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 17212372
2-(1-methyltetrazol-5-yl)sulfanyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride
CID 17206272
2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]butan-1-ol
CID 17206251
N-[(2-methoxyphenyl)methyl]-1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine;hydrochloride
CID 17206380
4-[[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]methyl]benzoic acid
CID 17206285
1-phenyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine
CID 17206239
1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17206254
1-phenyl-2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride
CID 17206286
1-butyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]tetrazol-5-amine
CID 66538914
3-morpholin-4-yl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine;dihydrochloride
CID 17213946

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine (CID 17206261) is N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine is CCCNCc1cccc(Oc2nnnn2-c2ccccc2)c1.
What is the InChIKey of N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine?
The InChIKey is ILWSQTPVJOAOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-2-11-18-13-14-7-6-10-16(12-14)23-17-19-20-21-22(17)15-8-4-3-5-9-15/h3-10,12,18H,2,11,13H2,1H3.
What are the key properties of N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine?
N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine has a molecular weight of 309.37 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine is sourced from PubChem (CID 17206261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).