methyl 2-[5-[(2-aminoethylamino)-(4-phenylphenyl)methyl]tetrazol-1-yl]acetate

C19H22N6O2 — CID 23766726

IUPACmethyl 2-[5-[(2-aminoethylamino)-(4-phenylphenyl)methyl]tetrazol-1-yl]acetate
SMILESCOC(=O)Cn1nnnc1C(NCCN)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H22N6O2/c1-27-17(26)13-25-19(22-23-24-25)18(21-12-11-20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,18,21H,11-13,20H2,1H3
InChIKeyGCTNJUODHFTFCH-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.15
Rot. Bonds8

About methyl 2-[5-[(2-aminoethylamino)-(4-phenylphenyl)methyl]tetrazol-1-yl]acetate

methyl 2-[5-[(2-aminoethylamino)-(4-phenylphenyl)methyl]tetrazol-1-yl]acetate (PubChem CID 23766726) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is methyl 2-[5-[(2-aminoethylamino)-(4-phenylphenyl)methyl]tetrazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[(2-aminoethylamino)-(4-phenylphenyl)methyl]tetrazol-1-yl]acetate
PubChem CID23766726
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Namemethyl 2-[5-[(2-aminoethylamino)-(4-phenylphenyl)methyl]tetrazol-1-yl]acetate
SMILESCOC(=O)Cn1nnnc1C(NCCN)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H22N6O2/c1-27-17(26)13-25-19(22-23-24-25)18(21-12-11-20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,18,21H,11-13,20H2,1H3
InChIKeyGCTNJUODHFTFCH-UHFFFAOYSA-N
XLogP1.15
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-[5-[[[3-(aminomethyl)phenyl]methylamino]-(4-phenylphenyl)methyl]tetrazol-1-yl]acetate
CID 23823972
3-[[[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]-(4-methylphenyl)methyl]amino]-3-(3-methylphenyl)propanoic acid
CID 23793046
methyl 4-[[(4-aminocyclohexyl)amino]-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]methyl]benzoate
CID 23821271
methyl 2-[5-[4-[1-(2-methoxy-2-oxoethyl)tetrazol-5-yl]phenyl]tetrazol-1-yl]acetate
CID 15007346
methyl 2-[5-[[(4-aminocyclohexyl)amino]-(3-methoxyphenyl)methyl]tetrazol-1-yl]acetate
CID 23961348
methyl 2-(3,5-diphenyl-1,2,4-triazol-1-yl)acetate
CID 43839948
methyl 2-[5-amino-4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]acetate
CID 82202834
methyl 2-[5-(4-phenylbutylsulfanyl)tetrazol-1-yl]acetate
CID 114332953
3-[[(4-acetamidophenyl)-[1-(2-ethoxy-2-oxoethyl)tetrazol-5-yl]methyl]amino]-3-(3-methylphenyl)propanoic acid
CID 23761060
methyl 2-[5-(3,5-dimethylphenyl)tetrazol-1-yl]acetate
CID 22400939
methyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate
CID 65235244
3-[[[1-(2-ethoxy-2-oxoethyl)tetrazol-5-yl]-(3-hydroxy-4-methoxyphenyl)methyl]amino]-3-(3-methylphenyl)propanoic acid
CID 23855134

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(2-aminoethylamino)-(4-phenylphenyl)methyl]tetrazol-1-yl]acetate?
The IUPAC name of methyl 2-[5-[(2-aminoethylamino)-(4-phenylphenyl)methyl]tetrazol-1-yl]acetate (CID 23766726) is methyl 2-[5-[(2-aminoethylamino)-(4-phenylphenyl)methyl]tetrazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-[(2-aminoethylamino)-(4-phenylphenyl)methyl]tetrazol-1-yl]acetate?
The canonical SMILES for methyl 2-[5-[(2-aminoethylamino)-(4-phenylphenyl)methyl]tetrazol-1-yl]acetate is COC(=O)Cn1nnnc1C(NCCN)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl 2-[5-[(2-aminoethylamino)-(4-phenylphenyl)methyl]tetrazol-1-yl]acetate?
The InChIKey is GCTNJUODHFTFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-27-17(26)13-25-19(22-23-24-25)18(21-12-11-20)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,18,21H,11-13,20H2,1H3.
What are the key properties of methyl 2-[5-[(2-aminoethylamino)-(4-phenylphenyl)methyl]tetrazol-1-yl]acetate?
methyl 2-[5-[(2-aminoethylamino)-(4-phenylphenyl)methyl]tetrazol-1-yl]acetate has a molecular weight of 366.43 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(2-aminoethylamino)-(4-phenylphenyl)methyl]tetrazol-1-yl]acetate is sourced from PubChem (CID 23766726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).