3-ethoxy-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine;hydrochloride

C19H24ClN5O2 — CID 132904791

IUPAC3-ethoxy-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine;hydrochloride
SMILESCCOCCCNCc1ccc(Oc2nnnn2-c2ccccc2)cc1.Cl
InChIInChI=1S/C19H23N5O2.ClH/c1-2-25-14-6-13-20-15-16-9-11-18(12-10-16)26-19-21-22-23-24(19)17-7-4-3-5-8-17;/h3-5,7-12,20H,2,6,13-15H2,1H3;1H
InChIKeyVMEASPSVNGXUAH-UHFFFAOYSA-N
MW389.89 g/mol
LogP3.39
Rot. Bonds10

About 3-ethoxy-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine;hydrochloride

3-ethoxy-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine;hydrochloride (PubChem CID 132904791) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is 3-ethoxy-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-ethoxy-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine;hydrochloride
PubChem CID132904791
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC Name3-ethoxy-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine;hydrochloride
SMILESCCOCCCNCc1ccc(Oc2nnnn2-c2ccccc2)cc1.Cl
InChIInChI=1S/C19H23N5O2.ClH/c1-2-25-14-6-13-20-15-16-9-11-18(12-10-16)26-19-21-22-23-24(19)17-7-4-3-5-8-17;/h3-5,7-12,20H,2,6,13-15H2,1H3;1H
InChIKeyVMEASPSVNGXUAH-UHFFFAOYSA-N
XLogP3.39
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine;hydrochloride
CID 132902394
2-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride
CID 52991851
N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-3-methoxypropan-1-amine;hydrochloride
CID 17209516
3-methoxy-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine
CID 17206385
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
2-(1H-indol-3-yl)-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride
CID 132948588
N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine
CID 17206261
N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17206314
3-butoxy-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine
CID 115573451
2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride
CID 17206350
N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 17216172

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine;hydrochloride?
The IUPAC name of 3-ethoxy-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine;hydrochloride (CID 132904791) is 3-ethoxy-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine;hydrochloride.
What is the SMILES notation for 3-ethoxy-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine;hydrochloride?
The canonical SMILES for 3-ethoxy-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine;hydrochloride is CCOCCCNCc1ccc(Oc2nnnn2-c2ccccc2)cc1.Cl.
What is the InChIKey of 3-ethoxy-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine;hydrochloride?
The InChIKey is VMEASPSVNGXUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2.ClH/c1-2-25-14-6-13-20-15-16-9-11-18(12-10-16)26-19-21-22-23-24(19)17-7-4-3-5-8-17;/h3-5,7-12,20H,2,6,13-15H2,1H3;1H.
What are the key properties of 3-ethoxy-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine;hydrochloride?
3-ethoxy-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine;hydrochloride has a molecular weight of 389.89 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[[4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 132904791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).