N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-methyltetrazol-5-amine

C18H21N5O2 — CID 4727571

IUPACN-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-methyltetrazol-5-amine
SMILESCCOc1cccc(CNc2nnnn2C)c1OCc1ccccc1
InChIInChI=1S/C18H21N5O2/c1-3-24-16-11-7-10-15(12-19-18-20-21-22-23(18)2)17(16)25-13-14-8-5-4-6-9-14/h4-11H,3,12-13H2,1-2H3,(H,19,20,22)
InChIKeyHIZZBFKHJZBWAM-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.80
Rot. Bonds8

About N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-methyltetrazol-5-amine

N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-methyltetrazol-5-amine (PubChem CID 4727571) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-methyltetrazol-5-amine
PubChem CID4727571
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-methyltetrazol-5-amine
SMILESCCOc1cccc(CNc2nnnn2C)c1OCc1ccccc1
InChIInChI=1S/C18H21N5O2/c1-3-24-16-11-7-10-15(12-19-18-20-21-22-23(18)2)17(16)25-13-14-8-5-4-6-9-14/h4-11H,3,12-13H2,1-2H3,(H,19,20,22)
InChIKeyHIZZBFKHJZBWAM-UHFFFAOYSA-N
XLogP2.80
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 4724402
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine
CID 4724883
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17290759
N-[[2-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-1-methyltetrazol-5-amine
CID 66540942
N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727584
N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727564
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17332966
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]butan-2-amine
CID 4717056
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-methyltetrazol-5-amine
CID 4727588
2-[2-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 4724426
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-phenylmethanamine
CID 17212716
3-[(3-ethoxy-2-phenylmethoxyphenyl)methylamino]-2-methylbenzoic acid
CID 17059903

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The IUPAC name of N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-methyltetrazol-5-amine (CID 4727571) is N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-methyltetrazol-5-amine.
What is the SMILES notation for N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The canonical SMILES for N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-methyltetrazol-5-amine is CCOc1cccc(CNc2nnnn2C)c1OCc1ccccc1.
What is the InChIKey of N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-methyltetrazol-5-amine?
The InChIKey is HIZZBFKHJZBWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-3-24-16-11-7-10-15(12-19-18-20-21-22-23(18)2)17(16)25-13-14-8-5-4-6-9-14/h4-11H,3,12-13H2,1-2H3,(H,19,20,22).
What are the key properties of N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-methyltetrazol-5-amine?
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-methyltetrazol-5-amine has a molecular weight of 339.40 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-1-methyltetrazol-5-amine is sourced from PubChem (CID 4727571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).