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

C14H18F2N4 — CID 105038787

IUPAC2-(3,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1C(Cc1ccc(F)c(F)c1)NC
InChIInChI=1S/C14H18F2N4/c1-3-6-20-14(9-18-19-20)13(17-2)8-10-4-5-11(15)12(16)7-10/h4-5,7,9,13,17H,3,6,8H2,1-2H3
InChIKeyDVOVIVOBASUYER-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.47
Rot. Bonds6

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

2-(3,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine (PubChem CID 105038787) has the molecular formula C14H18F2N4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
PubChem CID105038787
Molecular FormulaC14H18F2N4
Molecular Weight280.32 g/mol
Exact Mass280.15
IUPAC Name2-(3,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
SMILESCCCn1nncc1C(Cc1ccc(F)c(F)c1)NC
InChIInChI=1S/C14H18F2N4/c1-3-6-20-14(9-18-19-20)13(17-2)8-10-4-5-11(15)12(16)7-10/h4-5,7,9,13,17H,3,6,8H2,1-2H3
InChIKeyDVOVIVOBASUYER-UHFFFAOYSA-N
XLogP2.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687105
2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 105038647
2-(2,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687846
2-(4-chlorophenyl)-1-(3-ethyltriazol-4-yl)-N-methylethanamine
CID 114213157
2-(3,4-dimethylphenyl)-N-ethyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687598
N-methyl-2-(2-methylphenyl)-1-(3-propyltriazol-4-yl)ethanamine
CID 114687384
N-methyl-2-methylsulfanyl-1-(3-propyltriazol-4-yl)ethanamine
CID 114687560
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038680
N-methyl-1-(3-propyltriazol-4-yl)-1-(2,3,4-trifluorophenyl)methanamine
CID 105038832
N,3-dimethyl-1-(3-propyltriazol-4-yl)pentan-1-amine
CID 105038662
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114687190
N-methyl-3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105182268

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine?
The IUPAC name of 2-(3,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine (CID 105038787) is 2-(3,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine is CCCn1nncc1C(Cc1ccc(F)c(F)c1)NC.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine?
The InChIKey is DVOVIVOBASUYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4/c1-3-6-20-14(9-18-19-20)13(17-2)8-10-4-5-11(15)12(16)7-10/h4-5,7,9,13,17H,3,6,8H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine?
2-(3,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine has a molecular weight of 280.32 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine is sourced from PubChem (CID 105038787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).