1-(3,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N-methylmethanamine

C18H20FN5O2 — CID 17394198

IUPAC1-(3,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N-methylmethanamine
SMILESCOc1ccc(CN(C)Cn2nnc(-c3ccc(F)cc3)n2)cc1OC
InChIInChI=1S/C18H20FN5O2/c1-23(11-13-4-9-16(25-2)17(10-13)26-3)12-24-21-18(20-22-24)14-5-7-15(19)8-6-14/h4-10H,11-12H2,1-3H3
InChIKeyKLZOMPJAYNSDKR-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.59
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N-methylmethanamine

1-(3,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N-methylmethanamine (PubChem CID 17394198) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N-methylmethanamine
PubChem CID17394198
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N-methylmethanamine
SMILESCOc1ccc(CN(C)Cn2nnc(-c3ccc(F)cc3)n2)cc1OC
InChIInChI=1S/C18H20FN5O2/c1-23(11-13-4-9-16(25-2)17(10-13)26-3)12-24-21-18(20-22-24)14-5-7-15(19)8-6-14/h4-10H,11-12H2,1-3H3
InChIKeyKLZOMPJAYNSDKR-UHFFFAOYSA-N
XLogP2.59
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N-methylmethanamine (CID 17394198) is 1-(3,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N-methylmethanamine is COc1ccc(CN(C)Cn2nnc(-c3ccc(F)cc3)n2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N-methylmethanamine?
The InChIKey is KLZOMPJAYNSDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-23(11-13-4-9-16(25-2)17(10-13)26-3)12-24-21-18(20-22-24)14-5-7-15(19)8-6-14/h4-10H,11-12H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N-methylmethanamine?
1-(3,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N-methylmethanamine has a molecular weight of 357.39 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 17394198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).