N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine

C17H19N5O2 — CID 17206363

IUPACN-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1
InChIInChI=1S/C17H19N5O2/c1-3-18-12-13-9-10-15(16(11-13)23-2)24-17-19-20-21-22(17)14-7-5-4-6-8-14/h4-11,18H,3,12H2,1-2H3
InChIKeyXZZLQNJJYFAEMQ-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.57
Rot. Bonds7

About N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine

N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine (PubChem CID 17206363) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine
PubChem CID17206363
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1
InChIInChI=1S/C17H19N5O2/c1-3-18-12-13-9-10-15(16(11-13)23-2)24-17-19-20-21-22(17)14-7-5-4-6-8-14/h4-11,18H,3,12H2,1-2H3
InChIKeyXZZLQNJJYFAEMQ-UHFFFAOYSA-N
XLogP2.57
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;hydrochloride
CID 17206350
N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-1-pyridin-4-ylmethanamine
CID 17206223
N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]heptan-1-amine;hydrochloride
CID 17212445
N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 17216172
N-[(2-chlorophenyl)methyl]-1-[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine
CID 17206227
2-(4-methoxyphenyl)-N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;hydrochloride
CID 17212453
N-[(2-chlorophenyl)methyl]-1-[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine;hydrochloride
CID 17206226
N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17206314
2-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]propanoic acid
CID 66527838
N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-2-phenylethanamine
CID 17212382
N-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]-3-methoxypropan-1-amine;hydrochloride
CID 17209516
3-imidazol-1-yl-N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]propan-1-amine
CID 17212470

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine (CID 17206363) is N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine is CCNCc1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1.
What is the InChIKey of N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine?
The InChIKey is XZZLQNJJYFAEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-3-18-12-13-9-10-15(16(11-13)23-2)24-17-19-20-21-22(17)14-7-5-4-6-8-14/h4-11,18H,3,12H2,1-2H3.
What are the key properties of N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine?
N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine has a molecular weight of 325.37 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine is sourced from PubChem (CID 17206363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).