1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride

C19H18ClN5OS — CID 17206254

IUPAC1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
SMILESCl.c1ccc(-n2nnnc2Oc2cccc(CNCc3cccs3)c2)cc1
InChIInChI=1S/C19H17N5OS.ClH/c1-2-7-16(8-3-1)24-19(21-22-23-24)25-17-9-4-6-15(12-17)13-20-14-18-10-5-11-26-18;/h1-12,20H,13-14H2;1H
InChIKeyBDOMWEGIYOQBNC-UHFFFAOYSA-N
MW399.91 g/mol
LogP4.23
Rot. Bonds7

About 1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride

1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride (PubChem CID 17206254) has the molecular formula C19H18ClN5OS and a molecular weight of 399.91 g/mol. Its IUPAC name is 1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
PubChem CID17206254
Molecular FormulaC19H18ClN5OS
Molecular Weight399.91 g/mol
Exact Mass399.09
IUPAC Name1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
SMILESCl.c1ccc(-n2nnnc2Oc2cccc(CNCc3cccs3)c2)cc1
InChIInChI=1S/C19H17N5OS.ClH/c1-2-7-16(8-3-1)24-19(21-22-23-24)25-17-9-4-6-15(12-17)13-20-14-18-10-5-11-26-18;/h1-12,20H,13-14H2;1H
InChIKeyBDOMWEGIYOQBNC-UHFFFAOYSA-N
XLogP4.23
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.91
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride 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

N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine
CID 17206261
N-[(2-methoxyphenyl)methyl]-1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine;hydrochloride
CID 17206380
4-[[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]methyl]benzoic acid
CID 17206285
1-phenyl-2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride
CID 17206286
3-methoxy-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine
CID 17206385
N',N'-diethyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethane-1,2-diamine;dihydrochloride
CID 17216139
3-morpholin-4-yl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine;dihydrochloride
CID 17213946
N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 17212372
2-(1-methyltetrazol-5-yl)sulfanyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride
CID 17206272
4-fluoro-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]aniline
CID 66539007
N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]cycloheptanamine
CID 17206293
1-phenyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine
CID 17206239

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride (CID 17206254) is 1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride is Cl.c1ccc(-n2nnnc2Oc2cccc(CNCc3cccs3)c2)cc1.
What is the InChIKey of 1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
The InChIKey is BDOMWEGIYOQBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS.ClH/c1-2-7-16(8-3-1)24-19(21-22-23-24)25-17-9-4-6-15(12-17)13-20-14-18-10-5-11-26-18;/h1-12,20H,13-14H2;1H.
What are the key properties of 1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride?
1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride has a molecular weight of 399.91 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 17206254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).