1-naphthalen-2-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride

C22H24ClN5O2 — CID 138961159

IUPAC1-naphthalen-2-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride
SMILESCC(NCC(O)COc1ccc2ccccc2c1)c1ccc(-n2cnnn2)cc1.Cl
InChIInChI=1S/C22H23N5O2.ClH/c1-16(17-6-9-20(10-7-17)27-15-24-25-26-27)23-13-21(28)14-29-22-11-8-18-4-2-3-5-19(18)12-22;/h2-12,15-16,21,23,28H,13-14H2,1H3;1H
InChIKeyNVBNWUPLIMAYJS-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.33
Rot. Bonds8

About 1-naphthalen-2-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride

1-naphthalen-2-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride (PubChem CID 138961159) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 1-naphthalen-2-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-naphthalen-2-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride
PubChem CID138961159
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC Name1-naphthalen-2-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride
SMILESCC(NCC(O)COc1ccc2ccccc2c1)c1ccc(-n2cnnn2)cc1.Cl
InChIInChI=1S/C22H23N5O2.ClH/c1-16(17-6-9-20(10-7-17)27-15-24-25-26-27)23-13-21(28)14-29-22-11-8-18-4-2-3-5-19(18)12-22;/h2-12,15-16,21,23,28H,13-14H2,1H3;1H
InChIKeyNVBNWUPLIMAYJS-UHFFFAOYSA-N
XLogP3.33
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-naphthalen-1-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride
CID 138961157
1-(4-propylphenoxy)-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol
CID 138961136
1-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]-3-(2,3,5-trimethylphenoxy)propan-2-ol;hydrochloride
CID 138961082
1-(1-adamantyloxy)-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride
CID 138961145
1-[(4-chlorophenyl)methoxy]-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol
CID 138961166
4-[(1S,2S)-1-hydroxy-2-[[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]amino]propyl]phenol
CID 7872772
4-[(1S,2R)-1-hydroxy-2-[[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]amino]propyl]phenol
CID 2537566
2-naphthalen-2-yloxy-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 2579424
(2S)-1-(4-methoxyphenoxy)-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 7025078
(2R)-1-(methylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1132897
1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 2769824
1-(3,4-dimethylphenoxy)-3-(1-phenylethylamino)propan-2-ol chloride
CID 21237830

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride?
The IUPAC name of 1-naphthalen-2-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride (CID 138961159) is 1-naphthalen-2-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-naphthalen-2-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride?
The canonical SMILES for 1-naphthalen-2-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride is CC(NCC(O)COc1ccc2ccccc2c1)c1ccc(-n2cnnn2)cc1.Cl.
What is the InChIKey of 1-naphthalen-2-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride?
The InChIKey is NVBNWUPLIMAYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2.ClH/c1-16(17-6-9-20(10-7-17)27-15-24-25-26-27)23-13-21(28)14-29-22-11-8-18-4-2-3-5-19(18)12-22;/h2-12,15-16,21,23,28H,13-14H2,1H3;1H.
What are the key properties of 1-naphthalen-2-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride?
1-naphthalen-2-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride has a molecular weight of 425.92 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride is sourced from PubChem (CID 138961159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).