1-(2-fluoro-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine

C12H15FN4 — CID 107064355

IUPAC1-(2-fluoro-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCc1cccc(C(N)Cc2cn(C)nn2)c1F
InChIInChI=1S/C12H15FN4/c1-8-4-3-5-10(12(8)13)11(14)6-9-7-17(2)16-15-9/h3-5,7,11H,6,14H2,1-2H3
InChIKeyQCCWYBCHNFZXPM-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.51
Rot. Bonds3

About 1-(2-fluoro-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine

1-(2-fluoro-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine (PubChem CID 107064355) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
PubChem CID107064355
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name1-(2-fluoro-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
SMILESCc1cccc(C(N)Cc2cn(C)nn2)c1F
InChIInChI=1S/C12H15FN4/c1-8-4-3-5-10(12(8)13)11(14)6-9-7-17(2)16-15-9/h3-5,7,11H,6,14H2,1-2H3
InChIKeyQCCWYBCHNFZXPM-UHFFFAOYSA-N
XLogP1.51
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107049092
1-(4-chloro-2-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 114028372
1-(2-chloro-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063926
1-(2-bromo-4-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063908
1-(2-methoxy-5-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064200
1-(2-bromo-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107985909
4-[3-bromo-2-(2-methylphenyl)propyl]-1-methyltriazole
CID 107058173
4-[3-chloro-2-(2-methylphenyl)propyl]-1-methyltriazole
CID 107058169
1-(2,3-difluorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064230
(1S)-2-fluoro-1-(2-fluoro-3-methylphenyl)ethanamine
CID 125426218
1-(2-bromofuran-3-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064617
1-(5-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064105

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine (CID 107064355) is 1-(2-fluoro-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine is Cc1cccc(C(N)Cc2cn(C)nn2)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine?
The InChIKey is QCCWYBCHNFZXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-8-4-3-5-10(12(8)13)11(14)6-9-7-17(2)16-15-9/h3-5,7,11H,6,14H2,1-2H3.
What are the key properties of 1-(2-fluoro-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine?
1-(2-fluoro-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine has a molecular weight of 234.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 107064355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).