1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine

C11H12F2N4 — CID 105043450

IUPAC1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
SMILESCNC(c1cccc(F)c1F)c1cnnn1C
InChIInChI=1S/C11H12F2N4/c1-14-11(9-6-15-16-17(9)2)7-4-3-5-8(12)10(7)13/h3-6,11,14H,1-2H3
InChIKeyONBHJXZMIVMBCD-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.40
Rot. Bonds3

About 1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine

1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine (PubChem CID 105043450) has the molecular formula C11H12F2N4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
PubChem CID105043450
Molecular FormulaC11H12F2N4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
SMILESCNC(c1cccc(F)c1F)c1cnnn1C
InChIInChI=1S/C11H12F2N4/c1-14-11(9-6-15-16-17(9)2)7-4-3-5-8(12)10(7)13/h3-6,11,14H,1-2H3
InChIKeyONBHJXZMIVMBCD-UHFFFAOYSA-N
XLogP1.40
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoro-3-methylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043613
1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114686909
1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687673
1-(5-fluoro-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114688577
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687189
1-(2,3-difluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105046950
1-(2,3-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 102803776
1-(2,6-dimethoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043571
1-(1-benzothiophen-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043669
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114688993
1-(furan-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687790
N-methyl-1-(3-propyltriazol-4-yl)-1-(2,3,4-trifluorophenyl)methanamine
CID 105038832

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine (CID 105043450) is 1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine is CNC(c1cccc(F)c1F)c1cnnn1C.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
The InChIKey is ONBHJXZMIVMBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4/c1-14-11(9-6-15-16-17(9)2)7-4-3-5-8(12)10(7)13/h3-6,11,14H,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine has a molecular weight of 238.24 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 105043450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).