1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine

C13H16F2N4 — CID 114688524

IUPAC1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(NC)c1c(F)cccc1F
InChIInChI=1S/C13H16F2N4/c1-3-7-19-11(8-17-18-19)13(16-2)12-9(14)5-4-6-10(12)15/h4-6,8,13,16H,3,7H2,1-2H3
InChIKeyQMZXALAYIILFRC-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.28
Rot. Bonds5

About 1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine

1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine (PubChem CID 114688524) has the molecular formula C13H16F2N4 and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
PubChem CID114688524
Molecular FormulaC13H16F2N4
Molecular Weight266.29 g/mol
Exact Mass266.13
IUPAC Name1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(NC)c1c(F)cccc1F
InChIInChI=1S/C13H16F2N4/c1-3-7-19-11(8-17-18-19)13(16-2)12-9(14)5-4-6-10(12)15/h4-6,8,13,16H,3,7H2,1-2H3
InChIKeyQMZXALAYIILFRC-UHFFFAOYSA-N
XLogP2.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.28
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
2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 105038647
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038680
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114687190
1-(3-bromophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114687111
N-methyl-1-(3-propyltriazol-4-yl)-1-quinolin-2-ylmethanamine
CID 114687701
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688825
N-methyl-1-(3-propyltriazol-4-yl)-1-[4-(trifluoromethyl)phenyl]methanamine
CID 105038531
1-[2-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038764
1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038760
(2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038745
N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propyltriazol-4-yl)methanamine
CID 114687409

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine (CID 114688524) is 1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(NC)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
The InChIKey is QMZXALAYIILFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4/c1-3-7-19-11(8-17-18-19)13(16-2)12-9(14)5-4-6-10(12)15/h4-6,8,13,16H,3,7H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine has a molecular weight of 266.29 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 114688524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).