1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine

C11H13FN4 — CID 114686909

IUPAC1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
SMILESCNC(c1cccc(F)c1)c1cnnn1C
InChIInChI=1S/C11H13FN4/c1-13-11(10-7-14-15-16(10)2)8-4-3-5-9(12)6-8/h3-7,11,13H,1-2H3
InChIKeyKSJUGKATEMTFEH-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.26
Rot. Bonds3

About 1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine

1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine (PubChem CID 114686909) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
PubChem CID114686909
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
SMILESCNC(c1cccc(F)c1)c1cnnn1C
InChIInChI=1S/C11H13FN4/c1-13-11(10-7-14-15-16(10)2)8-4-3-5-9(12)6-8/h3-7,11,13H,1-2H3
InChIKeyKSJUGKATEMTFEH-UHFFFAOYSA-N
XLogP1.26
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687189
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114688993
1-(2-fluoro-3-methylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043613
1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043450
1-(5-fluoro-2-pyridinyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114688577
1-(3-fluorophenyl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 60818375
1-(furan-3-yl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687790
1-(4-tert-butylphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043741
1-(4-chloro-2-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114687673
N,N-dimethyl-4-[methylamino-(3-methyltriazol-4-yl)methyl]aniline
CID 105184667
1-(2,6-dimethoxyphenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043571
[(2-bromo-5-fluorophenyl)-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337670

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine (CID 114686909) is 1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine is CNC(c1cccc(F)c1)c1cnnn1C.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
The InChIKey is KSJUGKATEMTFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-13-11(10-7-14-15-16(10)2)8-4-3-5-9(12)6-8/h3-7,11,13H,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine?
1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine has a molecular weight of 220.25 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 114686909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).