(1R)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2-bis(3-fluorophenyl)ethanamine

C19H20F2N4 — CID 124610865

IUPAC(1R)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2-bis(3-fluorophenyl)ethanamine
SMILESCc1nnc(CN[C@H](Cc2cccc(F)c2)c2cccc(F)c2)n1C
InChIInChI=1S/C19H20F2N4/c1-13-23-24-19(25(13)2)12-22-18(15-6-4-8-17(21)11-15)10-14-5-3-7-16(20)9-14/h3-9,11,18,22H,10,12H2,1-2H3/t18-/m1/s1
InChIKeyLXSFTDIJGKVYIC-GOSISDBHSA-N
MW342.39 g/mol
LogP3.48
Rot. Bonds6

About (1R)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2-bis(3-fluorophenyl)ethanamine

(1R)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2-bis(3-fluorophenyl)ethanamine (PubChem CID 124610865) has the molecular formula C19H20F2N4 and a molecular weight of 342.39 g/mol. Its IUPAC name is (1R)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2-bis(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2-bis(3-fluorophenyl)ethanamine
PubChem CID124610865
Molecular FormulaC19H20F2N4
Molecular Weight342.39 g/mol
Exact Mass342.17
IUPAC Name(1R)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2-bis(3-fluorophenyl)ethanamine
SMILESCc1nnc(CN[C@H](Cc2cccc(F)c2)c2cccc(F)c2)n1C
InChIInChI=1S/C19H20F2N4/c1-13-23-24-19(25(13)2)12-22-18(15-6-4-8-17(21)11-15)10-14-5-3-7-16(20)9-14/h3-9,11,18,22H,10,12H2,1-2H3/t18-/m1/s1
InChIKeyLXSFTDIJGKVYIC-GOSISDBHSA-N
XLogP3.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2-bis(3-fluorophenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1,2-bis(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 94871358
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111877148
(1S)-2-(2-chlorophenyl)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-phenylethanamine
CID 124574611
N-[2-(3-fluorophenyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 60818849
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]-2-(4-ethylphenyl)ethanol
CID 75501649
2-benzyl-3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-[(3-fluorophenyl)methyl]-1-methylguanidine
CID 111285013
3-[(3-fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole
CID 6464901
2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 63414289
N-[1,2-bis(3-fluorophenyl)ethyl]-2-methylsulfanylacetamide
CID 49011781
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 43524835
N-[2-(3-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105095880
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-(3-ethoxypropyl)-2-[(3-fluorophenyl)methyl]guanidine
CID 111878111

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2-bis(3-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2-bis(3-fluorophenyl)ethanamine (CID 124610865) is (1R)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2-bis(3-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2-bis(3-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2-bis(3-fluorophenyl)ethanamine is Cc1nnc(CN[C@H](Cc2cccc(F)c2)c2cccc(F)c2)n1C.
What is the InChIKey of (1R)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2-bis(3-fluorophenyl)ethanamine?
The InChIKey is LXSFTDIJGKVYIC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H20F2N4/c1-13-23-24-19(25(13)2)12-22-18(15-6-4-8-17(21)11-15)10-14-5-3-7-16(20)9-14/h3-9,11,18,22H,10,12H2,1-2H3/t18-/m1/s1.
What are the key properties of (1R)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2-bis(3-fluorophenyl)ethanamine?
(1R)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2-bis(3-fluorophenyl)ethanamine has a molecular weight of 342.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1,2-bis(3-fluorophenyl)ethanamine is sourced from PubChem (CID 124610865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).