1-[(4-chlorophenyl)methoxy]-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol

C19H22ClN5O2 — CID 138961166

IUPAC1-[(4-chlorophenyl)methoxy]-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol
SMILESCC(NCC(O)COCc1ccc(Cl)cc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C19H22ClN5O2/c1-14(16-4-8-18(9-5-16)25-13-22-23-24-25)21-10-19(26)12-27-11-15-2-6-17(20)7-3-15/h2-9,13-14,19,21,26H,10-12H2,1H3
InChIKeyYXAXKYDJMKHQQW-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.54
Rot. Bonds9

About 1-[(4-chlorophenyl)methoxy]-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol

1-[(4-chlorophenyl)methoxy]-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol (PubChem CID 138961166) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol
PubChem CID138961166
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name1-[(4-chlorophenyl)methoxy]-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol
SMILESCC(NCC(O)COCc1ccc(Cl)cc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C19H22ClN5O2/c1-14(16-4-8-18(9-5-16)25-13-22-23-24-25)21-10-19(26)12-27-11-15-2-6-17(20)7-3-15/h2-9,13-14,19,21,26H,10-12H2,1H3
InChIKeyYXAXKYDJMKHQQW-UHFFFAOYSA-N
XLogP2.54
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(4-chlorophenyl)methoxy]-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol with MolForge

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Related Compounds

1-(4-propylphenoxy)-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol
CID 138961136
1-naphthalen-2-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride
CID 138961159
1-(1-adamantyloxy)-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride
CID 138961145
1-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]-3-(2,3,5-trimethylphenoxy)propan-2-ol;hydrochloride
CID 138961082
1-naphthalen-1-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride
CID 138961157
(4-propan-2-ylphenyl)methyl 4-(tetrazol-1-yl)benzoate
CID 7500799
1-(butan-2-ylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol chloride
CID 53313843
1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 81355790
1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 110904741
1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-(4-methylpentoxy)propan-2-ol
CID 81356129
(2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 7024938
1-[1-(3,4-difluorophenyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 110877396

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol (CID 138961166) is 1-[(4-chlorophenyl)methoxy]-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol is CC(NCC(O)COCc1ccc(Cl)cc1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol?
The InChIKey is YXAXKYDJMKHQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c1-14(16-4-8-18(9-5-16)25-13-22-23-24-25)21-10-19(26)12-27-11-15-2-6-17(20)7-3-15/h2-9,13-14,19,21,26H,10-12H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol?
1-[(4-chlorophenyl)methoxy]-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol has a molecular weight of 387.87 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol is sourced from PubChem (CID 138961166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).