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

C22H24ClN5O2 — CID 138961157

IUPAC1-naphthalen-1-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride
SMILESCC(NCC(O)COc1cccc2ccccc12)c1ccc(-n2cnnn2)cc1.Cl
InChIInChI=1S/C22H23N5O2.ClH/c1-16(17-9-11-19(12-10-17)27-15-24-25-26-27)23-13-20(28)14-29-22-8-4-6-18-5-2-3-7-21(18)22;/h2-12,15-16,20,23,28H,13-14H2,1H3;1H
InChIKeyBTMTXCVUDYOEFN-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.33
Rot. Bonds8

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

1-naphthalen-1-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride (PubChem CID 138961157) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 1-naphthalen-1-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-naphthalen-1-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride
PubChem CID138961157
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC Name1-naphthalen-1-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride
SMILESCC(NCC(O)COc1cccc2ccccc12)c1ccc(-n2cnnn2)cc1.Cl
InChIInChI=1S/C22H23N5O2.ClH/c1-16(17-9-11-19(12-10-17)27-15-24-25-26-27)23-13-20(28)14-29-22-8-4-6-18-5-2-3-7-21(18)22;/h2-12,15-16,20,23,28H,13-14H2,1H3;1H
InChIKeyBTMTXCVUDYOEFN-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-2-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride
CID 138961159
1-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]-3-(2,3,5-trimethylphenoxy)propan-2-ol;hydrochloride
CID 138961082
1-[1-(4-ethylphenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 138958899
1-(4-propylphenoxy)-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol
CID 138961136
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 138960501
1-[1-(3-chlorophenyl)ethylamino]-3-naphthalen-1-yloxypropan-2-ol
CID 138960502
1-(1-adamantyloxy)-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride
CID 138961145
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
1-[(4-chlorophenyl)methoxy]-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol
CID 138961166
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride?
The IUPAC name of 1-naphthalen-1-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride (CID 138961157) is 1-naphthalen-1-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-naphthalen-1-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride?
The canonical SMILES for 1-naphthalen-1-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride is CC(NCC(O)COc1cccc2ccccc12)c1ccc(-n2cnnn2)cc1.Cl.
What is the InChIKey of 1-naphthalen-1-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride?
The InChIKey is BTMTXCVUDYOEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2.ClH/c1-16(17-9-11-19(12-10-17)27-15-24-25-26-27)23-13-20(28)14-29-22-8-4-6-18-5-2-3-7-21(18)22;/h2-12,15-16,20,23,28H,13-14H2,1H3;1H.
What are the key properties of 1-naphthalen-1-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride?
1-naphthalen-1-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-1-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride is sourced from PubChem (CID 138961157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).