1-phenyl-2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride

C22H22ClN5O2 — CID 17206286

IUPAC1-phenyl-2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride
SMILESCl.OC(CNCc1cccc(Oc2nnnn2-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C22H21N5O2.ClH/c28-21(18-9-3-1-4-10-18)16-23-15-17-8-7-13-20(14-17)29-22-24-25-26-27(22)19-11-5-2-6-12-19;/h1-14,21,23,28H,15-16H2;1H
InChIKeyXTYYBXGZRQWQJH-UHFFFAOYSA-N
MW423.90 g/mol
LogP3.70
Rot. Bonds8

About 1-phenyl-2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride

1-phenyl-2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride (PubChem CID 17206286) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is 1-phenyl-2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name1-phenyl-2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride
PubChem CID17206286
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC Name1-phenyl-2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride
SMILESCl.OC(CNCc1cccc(Oc2nnnn2-c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C22H21N5O2.ClH/c28-21(18-9-3-1-4-10-18)16-23-15-17-8-7-13-20(14-17)29-22-24-25-26-27(22)19-11-5-2-6-12-19;/h1-14,21,23,28H,15-16H2;1H
InChIKeyXTYYBXGZRQWQJH-UHFFFAOYSA-N
XLogP3.70
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-phenyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine
CID 17206239
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-[3-(1-phenyltetrazol-5-yl)oxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17206254
N-[(2-methoxyphenyl)methyl]-1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine;hydrochloride
CID 17206380
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-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]cycloheptanamine
CID 17206293
4-fluoro-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]aniline
CID 66539007

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride?
The IUPAC name of 1-phenyl-2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride (CID 17206286) is 1-phenyl-2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride.
What is the SMILES notation for 1-phenyl-2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride?
The canonical SMILES for 1-phenyl-2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride is Cl.OC(CNCc1cccc(Oc2nnnn2-c2ccccc2)c1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride?
The InChIKey is XTYYBXGZRQWQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2.ClH/c28-21(18-9-3-1-4-10-18)16-23-15-17-8-7-13-20(14-17)29-22-24-25-26-27(22)19-11-5-2-6-12-19;/h1-14,21,23,28H,15-16H2;1H.
What are the key properties of 1-phenyl-2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride?
1-phenyl-2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride has a molecular weight of 423.90 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride is sourced from PubChem (CID 17206286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).