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

C21H27N5O2 — CID 138961136

IUPAC1-(4-propylphenoxy)-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol
SMILESCCCc1ccc(OCC(O)CNC(C)c2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C21H27N5O2/c1-3-4-17-5-11-21(12-6-17)28-14-20(27)13-22-16(2)18-7-9-19(10-8-18)26-15-23-24-25-26/h5-12,15-16,20,22,27H,3-4,13-14H2,1-2H3
InChIKeyQJVLFMPQMPYJOY-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.71
Rot. Bonds10

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

1-(4-propylphenoxy)-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol (PubChem CID 138961136) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-(4-propylphenoxy)-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-propylphenoxy)-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol
PubChem CID138961136
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name1-(4-propylphenoxy)-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol
SMILESCCCc1ccc(OCC(O)CNC(C)c2ccc(-n3cnnn3)cc2)cc1
InChIInChI=1S/C21H27N5O2/c1-3-4-17-5-11-21(12-6-17)28-14-20(27)13-22-16(2)18-7-9-19(10-8-18)26-15-23-24-25-26/h5-12,15-16,20,22,27H,3-4,13-14H2,1-2H3
InChIKeyQJVLFMPQMPYJOY-UHFFFAOYSA-N
XLogP2.71
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-naphthalen-2-yloxy-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride
CID 138961159
1-[(4-chlorophenyl)methoxy]-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol
CID 138961166
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
1-(1-adamantyloxy)-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol;hydrochloride
CID 138961145
1-[1-(4-ethylphenyl)ethylamino]-3-(4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138958832
1-(ethylamino)-3-(4-propylphenoxy)propan-2-ol
CID 62548727
1-[1-(4-methylphenyl)propylamino]-3-(4-propylphenoxy)propan-2-ol
CID 138960105
1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 10587787
(2R)-1-[1-(4-propylphenyl)ethylamino]propan-2-ol
CID 103906705
1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 155667891
N-[(1S)-1-(4-phenylphenyl)ethyl]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 41048048

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylphenoxy)-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol?
The IUPAC name of 1-(4-propylphenoxy)-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol (CID 138961136) is 1-(4-propylphenoxy)-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol.
What is the SMILES notation for 1-(4-propylphenoxy)-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol?
The canonical SMILES for 1-(4-propylphenoxy)-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol is CCCc1ccc(OCC(O)CNC(C)c2ccc(-n3cnnn3)cc2)cc1.
What is the InChIKey of 1-(4-propylphenoxy)-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol?
The InChIKey is QJVLFMPQMPYJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-3-4-17-5-11-21(12-6-17)28-14-20(27)13-22-16(2)18-7-9-19(10-8-18)26-15-23-24-25-26/h5-12,15-16,20,22,27H,3-4,13-14H2,1-2H3.
What are the key properties of 1-(4-propylphenoxy)-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol?
1-(4-propylphenoxy)-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol has a molecular weight of 381.48 g/mol, XLogP of 2.71, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylphenoxy)-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol is sourced from PubChem (CID 138961136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).