ethyl-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methyl]azanium

C19H24N5O2+ — CID 8638413

IUPACethyl-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methyl]azanium
SMILESCC[NH2+]Cc1ccc(OCc2nnnn2-c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C19H23N5O2/c1-4-20-12-15-7-10-17(18(11-15)25-3)26-13-19-21-22-23-24(19)16-8-5-14(2)6-9-16/h5-11,20H,4,12-13H2,1-3H3/p+1
InChIKeyFNZMKLOTEQDHFM-UHFFFAOYSA-O
MW354.43 g/mol
LogP1.64
Rot. Bonds8

About ethyl-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methyl]azanium

ethyl-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methyl]azanium (PubChem CID 8638413) has the molecular formula C19H24N5O2+ and a molecular weight of 354.43 g/mol. Its IUPAC name is ethyl-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methyl]azanium.

Molecular Properties

Compound Nameethyl-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methyl]azanium
PubChem CID8638413
Molecular FormulaC19H24N5O2+
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Nameethyl-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methyl]azanium
SMILESCC[NH2+]Cc1ccc(OCc2nnnn2-c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C19H23N5O2/c1-4-20-12-15-7-10-17(18(11-15)25-3)26-13-19-21-22-23-24(19)16-8-5-14(2)6-9-16/h5-11,20H,4,12-13H2,1-3H3/p+1
InChIKeyFNZMKLOTEQDHFM-UHFFFAOYSA-O
XLogP1.64
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methyl-(2-methylpropyl)azanium
CID 8638419
N-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methyl]butan-2-amine
CID 4724822
2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17333348
N-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methyl]octan-1-amine;hydrochloride
CID 17333385
1-N-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methyl]tetrazole-1,5-diamine
CID 4727007
N-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17333359
1-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methylamino]propan-2-ol;hydrochloride
CID 17333347
N-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methyl]-1-phenylethanamine;hydrochloride
CID 17333338
2-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 17333414
(4-ethoxy-3-methoxyphenyl)methyl-[3-(1-phenyltetrazol-5-yl)sulfanylpropyl]azanium
CID 8639643
[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-ethylazanium
CID 7597481
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine
CID 4724771

Frequently Asked Questions

What is the IUPAC name of ethyl-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methyl]azanium?
The IUPAC name of ethyl-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methyl]azanium (CID 8638413) is ethyl-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methyl]azanium.
What is the SMILES notation for ethyl-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methyl]azanium?
The canonical SMILES for ethyl-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methyl]azanium is CC[NH2+]Cc1ccc(OCc2nnnn2-c2ccc(C)cc2)c(OC)c1.
What is the InChIKey of ethyl-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methyl]azanium?
The InChIKey is FNZMKLOTEQDHFM-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23N5O2/c1-4-20-12-15-7-10-17(18(11-15)25-3)26-13-19-21-22-23-24(19)16-8-5-14(2)6-9-16/h5-11,20H,4,12-13H2,1-3H3/p+1.
What are the key properties of ethyl-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methyl]azanium?
ethyl-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methyl]azanium has a molecular weight of 354.43 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[[3-methoxy-4-[[1-(4-methylphenyl)tetrazol-5-yl]methoxy]phenyl]methyl]azanium is sourced from PubChem (CID 8638413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).