1-(2-chloro-5-fluorophenyl)-N-methyl-1-(1-methyltriazol-4-yl)methanamine

C11H12ClFN4 — CID 112735908

IUPAC1-(2-chloro-5-fluorophenyl)-N-methyl-1-(1-methyltriazol-4-yl)methanamine
SMILESCNC(c1cn(C)nn1)c1cc(F)ccc1Cl
InChIInChI=1S/C11H12ClFN4/c1-14-11(10-6-17(2)16-15-10)8-5-7(13)3-4-9(8)12/h3-6,11,14H,1-2H3
InChIKeyXZISPZMSEPOSGN-UHFFFAOYSA-N
MW254.70 g/mol
LogP1.92
Rot. Bonds3

About 1-(2-chloro-5-fluorophenyl)-N-methyl-1-(1-methyltriazol-4-yl)methanamine

1-(2-chloro-5-fluorophenyl)-N-methyl-1-(1-methyltriazol-4-yl)methanamine (PubChem CID 112735908) has the molecular formula C11H12ClFN4 and a molecular weight of 254.70 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-N-methyl-1-(1-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-N-methyl-1-(1-methyltriazol-4-yl)methanamine
PubChem CID112735908
Molecular FormulaC11H12ClFN4
Molecular Weight254.70 g/mol
Exact Mass254.07
IUPAC Name1-(2-chloro-5-fluorophenyl)-N-methyl-1-(1-methyltriazol-4-yl)methanamine
SMILESCNC(c1cn(C)nn1)c1cc(F)ccc1Cl
InChIInChI=1S/C11H12ClFN4/c1-14-11(10-6-17(2)16-15-10)8-5-7(13)3-4-9(8)12/h3-6,11,14H,1-2H3
InChIKeyXZISPZMSEPOSGN-UHFFFAOYSA-N
XLogP1.92
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-5-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 105395258
1-(2-chloro-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 105394908
1-(2-chloro-5-fluorophenyl)-1-(2,6-dichlorophenyl)-N-methylmethanamine
CID 105397291
1-(2-chloro-5-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylmethanamine
CID 106693400
1-(2,5-difluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107974970
N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107977844
1-(2-chloro-5-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylmethanamine
CID 105397270
2-chloro-5-fluoro-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 103865833
1-(2,5-dichlorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107063841
1-(2-chloro-4-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482921
1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 114030303
1-(2-chloro-4-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 63962440

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-methyl-1-(1-methyltriazol-4-yl)methanamine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-N-methyl-1-(1-methyltriazol-4-yl)methanamine (CID 112735908) is 1-(2-chloro-5-fluorophenyl)-N-methyl-1-(1-methyltriazol-4-yl)methanamine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-N-methyl-1-(1-methyltriazol-4-yl)methanamine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-N-methyl-1-(1-methyltriazol-4-yl)methanamine is CNC(c1cn(C)nn1)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-N-methyl-1-(1-methyltriazol-4-yl)methanamine?
The InChIKey is XZISPZMSEPOSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4/c1-14-11(10-6-17(2)16-15-10)8-5-7(13)3-4-9(8)12/h3-6,11,14H,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-N-methyl-1-(1-methyltriazol-4-yl)methanamine?
1-(2-chloro-5-fluorophenyl)-N-methyl-1-(1-methyltriazol-4-yl)methanamine has a molecular weight of 254.70 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-N-methyl-1-(1-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 112735908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).