2-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride

C16H18ClN5O2 — CID 52991851

IUPAC2-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride
SMILESCl.OCCNCc1ccc(Oc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C16H17N5O2.ClH/c22-11-10-17-12-13-6-8-15(9-7-13)23-16-18-19-20-21(16)14-4-2-1-3-5-14;/h1-9,17,22H,10-12H2;1H
InChIKeyZSYHGJMVRCSLCZ-UHFFFAOYSA-N
MW347.81 g/mol
LogP1.96
Rot. Bonds7

About 2-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride

2-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride (PubChem CID 52991851) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is 2-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride
PubChem CID52991851
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name2-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride
SMILESCl.OCCNCc1ccc(Oc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C16H17N5O2.ClH/c22-11-10-17-12-13-6-8-15(9-7-13)23-16-18-19-20-21(16)14-4-2-1-3-5-14;/h1-9,17,22H,10-12H2;1H
InChIKeyZSYHGJMVRCSLCZ-UHFFFAOYSA-N
XLogP1.96
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine;hydrochloride
CID 132902394
2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride
CID 17206350
3-ethoxy-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine;hydrochloride
CID 132904791
2-(1H-indol-3-yl)-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride
CID 132948588
2-(4-methoxyphenyl)-N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride
CID 17212453
N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine
CID 17206261
4-[[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]methyl]benzoic acid
CID 17206285
1-phenyl-5-(4-phenylphenoxy)tetrazole
CID 2477634
N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 17216172
N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine
CID 17206363
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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride?
The IUPAC name of 2-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride (CID 52991851) is 2-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride is Cl.OCCNCc1ccc(Oc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 2-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride?
The InChIKey is ZSYHGJMVRCSLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2.ClH/c22-11-10-17-12-13-6-8-15(9-7-13)23-16-18-19-20-21(16)14-4-2-1-3-5-14;/h1-9,17,22H,10-12H2;1H.
What are the key properties of 2-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride?
2-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride has a molecular weight of 347.81 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride is sourced from PubChem (CID 52991851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).