1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-N-methylmethanamine

C11H13FN4 — CID 114689798

IUPAC1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2cnnn2C)ccc1F
InChIInChI=1S/C11H13FN4/c1-13-6-9-5-8(3-4-10(9)12)11-7-14-15-16(11)2/h3-5,7,13H,6H2,1-2H3
InChIKeyUVVKVKXKFXCMQX-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.34
Rot. Bonds3

About 1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-N-methylmethanamine

1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-N-methylmethanamine (PubChem CID 114689798) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-N-methylmethanamine
PubChem CID114689798
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2cnnn2C)ccc1F
InChIInChI=1S/C11H13FN4/c1-13-6-9-5-8(3-4-10(9)12)11-7-14-15-16(11)2/h3-5,7,13H,6H2,1-2H3
InChIKeyUVVKVKXKFXCMQX-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-fluoro-5-(3-propyltriazol-4-yl)phenyl]methyl]ethanamine
CID 114689894
1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 54911684
1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine
CID 61026213
[2-methoxy-5-(3-methyltriazol-4-yl)phenyl]methanamine
CID 114689791
1-[2-fluoro-5-(4-methoxyphenyl)phenyl]-N-methylmethanamine
CID 54911708
1-[2-fluoro-5-(3-methyl-1-propylpyrazol-4-yl)phenyl]-N-methylmethanamine
CID 66020423
N-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]propan-2-amine
CID 63962668
1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine
CID 107514112
N-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]cyclopropanamine
CID 63962452
N-[[3-(3-methyltriazol-4-yl)phenyl]methyl]ethanamine
CID 114689787
1-[5-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]-N-methylmethanamine
CID 54910232
1-(2-fluoro-5-thiophen-2-ylphenyl)-N-methylmethanamine
CID 61104003

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-N-methylmethanamine (CID 114689798) is 1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-N-methylmethanamine is CNCc1cc(-c2cnnn2C)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-N-methylmethanamine?
The InChIKey is UVVKVKXKFXCMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-13-6-9-5-8(3-4-10(9)12)11-7-14-15-16(11)2/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-N-methylmethanamine?
1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-N-methylmethanamine has a molecular weight of 220.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 114689798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).