2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride

C17H20ClN5O3 — CID 17206350

IUPAC2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride
SMILESCOc1cc(CNCCO)ccc1Oc1nnnn1-c1ccccc1.Cl
InChIInChI=1S/C17H19N5O3.ClH/c1-24-16-11-13(12-18-9-10-23)7-8-15(16)25-17-19-20-21-22(17)14-5-3-2-4-6-14;/h2-8,11,18,23H,9-10,12H2,1H3;1H
InChIKeyJYPFEUCITGTYBP-UHFFFAOYSA-N
MW377.83 g/mol
LogP1.97
Rot. Bonds8

About 2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride

2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride (PubChem CID 17206350) has the molecular formula C17H20ClN5O3 and a molecular weight of 377.83 g/mol. Its IUPAC name is 2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride
PubChem CID17206350
Molecular FormulaC17H20ClN5O3
Molecular Weight377.83 g/mol
Exact Mass377.13
IUPAC Name2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride
SMILESCOc1cc(CNCCO)ccc1Oc1nnnn1-c1ccccc1.Cl
InChIInChI=1S/C17H19N5O3.ClH/c1-24-16-11-13(12-18-9-10-23)7-8-15(16)25-17-19-20-21-22(17)14-5-3-2-4-6-14;/h2-8,11,18,23H,9-10,12H2,1H3;1H
InChIKeyJYPFEUCITGTYBP-UHFFFAOYSA-N
XLogP1.97
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine
CID 17206363
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]heptan-1-amine;hydrochloride
CID 17212445
2-(4-methoxyphenyl)-N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride
CID 17212453
N-[(2-chlorophenyl)methyl]-1-[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine;hydrochloride
CID 17206226
2-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride
CID 52991851
N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-1-pyridin-4-ylmethanamine
CID 17206223
N-[(2-chlorophenyl)methyl]-1-[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine
CID 17206227
2-(1H-indol-3-yl)-N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride
CID 17206368
2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]propanoic acid
CID 66527838
N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-3-methoxypropan-1-amine;hydrochloride
CID 17209516
3-imidazol-1-yl-N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine
CID 17212470

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride?
The IUPAC name of 2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride (CID 17206350) is 2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride is COc1cc(CNCCO)ccc1Oc1nnnn1-c1ccccc1.Cl.
What is the InChIKey of 2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride?
The InChIKey is JYPFEUCITGTYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3.ClH/c1-24-16-11-13(12-18-9-10-23)7-8-15(16)25-17-19-20-21-22(17)14-5-3-2-4-6-14;/h2-8,11,18,23H,9-10,12H2,1H3;1H.
What are the key properties of 2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride?
2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride has a molecular weight of 377.83 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride is sourced from PubChem (CID 17206350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).