1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine

C12H15F2N5O — CID 107065279

IUPAC1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCNC(Cc1nnn(C)n1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C12H15F2N5O/c1-15-10(7-11-16-18-19(2)17-11)8-3-5-9(6-4-8)20-12(13)14/h3-6,10,12,15H,7H2,1-2H3
InChIKeyFURZVYWLAROTMQ-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.31
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine

1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine (PubChem CID 107065279) has the molecular formula C12H15F2N5O and a molecular weight of 283.28 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
PubChem CID107065279
Molecular FormulaC12H15F2N5O
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
SMILESCNC(Cc1nnn(C)n1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C12H15F2N5O/c1-15-10(7-11-16-18-19(2)17-11)8-3-5-9(6-4-8)20-12(13)14/h3-6,10,12,15H,7H2,1-2H3
InChIKeyFURZVYWLAROTMQ-UHFFFAOYSA-N
XLogP1.31
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[3-(difluoromethoxy)phenyl]-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066949
1-(3,5-dimethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051458
1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011486
1-[4-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 43280106
1-(3-ethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048319
N-[1-(4-ethoxyphenyl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107064889
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064792
1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105015149
1-[4-(difluoromethoxy)phenyl]-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030570
N-methyl-2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 107048370
2-(2-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine
CID 115787231
1-[4-(difluoromethoxy)phenyl]-N-methyl-3-phenylpropan-1-amine
CID 115794124

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine (CID 107065279) is 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine is CNC(Cc1nnn(C)n1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
The InChIKey is FURZVYWLAROTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5O/c1-15-10(7-11-16-18-19(2)17-11)8-3-5-9(6-4-8)20-12(13)14/h3-6,10,12,15H,7H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine?
1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine has a molecular weight of 283.28 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 107065279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).