1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine

C14H19FN4 — CID 105038680

IUPAC1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(NC)c1cc(C)ccc1F
InChIInChI=1S/C14H19FN4/c1-4-7-19-13(9-17-18-19)14(16-3)11-8-10(2)5-6-12(11)15/h5-6,8-9,14,16H,4,7H2,1-3H3
InChIKeyHJOMJPXJAFEPKS-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.44
Rot. Bonds5

About 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine

1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine (PubChem CID 105038680) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
PubChem CID105038680
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(NC)c1cc(C)ccc1F
InChIInChI=1S/C14H19FN4/c1-4-7-19-13(9-17-18-19)14(16-3)11-8-10(2)5-6-12(11)15/h5-6,8-9,14,16H,4,7H2,1-3H3
InChIKeyHJOMJPXJAFEPKS-UHFFFAOYSA-N
XLogP2.44
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(3-propyltriazol-4-yl)-1-(2,3,4-trifluorophenyl)methanamine
CID 105038832
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114687190
N-[(2-fluoro-4-methylphenyl)-(3-propyltriazol-4-yl)methyl]ethanamine
CID 105038772
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688825
1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688524
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(3-propyltriazol-4-yl)methanamine
CID 105182186
1-(2,5-dibromophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038962
N-methyl-1-(4-methylthiophen-3-yl)-1-(3-propyltriazol-4-yl)methanamine
CID 114688675
1-(5-bromo-2-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038917
1-(3-bromo-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038575
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115858560
1-(3,4-dichlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688813

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine (CID 105038680) is 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(NC)c1cc(C)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
The InChIKey is HJOMJPXJAFEPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c1-4-7-19-13(9-17-18-19)14(16-3)11-8-10(2)5-6-12(11)15/h5-6,8-9,14,16H,4,7H2,1-3H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine has a molecular weight of 262.33 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 105038680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).