(1R)-1-(3-chlorophenyl)-N-[(1-cyclobutyltriazol-4-yl)methyl]-2,2-difluoroethanamine

C15H17ClF2N4 — CID 164631742

IUPAC(1R)-1-(3-chlorophenyl)-N-[(1-cyclobutyltriazol-4-yl)methyl]-2,2-difluoroethanamine
SMILESFC(F)[C@H](NCc1cn(C2CCC2)nn1)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClF2N4/c16-11-4-1-3-10(7-11)14(15(17)18)19-8-12-9-22(21-20-12)13-5-2-6-13/h1,3-4,7,9,13-15,19H,2,5-6,8H2/t14-/m1/s1
InChIKeyQFTJCMBUGUJWQQ-CQSZACIVSA-N
MW326.78 g/mol
LogP3.75
Rot. Bonds6

About (1R)-1-(3-chlorophenyl)-N-[(1-cyclobutyltriazol-4-yl)methyl]-2,2-difluoroethanamine

(1R)-1-(3-chlorophenyl)-N-[(1-cyclobutyltriazol-4-yl)methyl]-2,2-difluoroethanamine (PubChem CID 164631742) has the molecular formula C15H17ClF2N4 and a molecular weight of 326.78 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-N-[(1-cyclobutyltriazol-4-yl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-N-[(1-cyclobutyltriazol-4-yl)methyl]-2,2-difluoroethanamine
PubChem CID164631742
Molecular FormulaC15H17ClF2N4
Molecular Weight326.78 g/mol
Exact Mass326.11
IUPAC Name(1R)-1-(3-chlorophenyl)-N-[(1-cyclobutyltriazol-4-yl)methyl]-2,2-difluoroethanamine
SMILESFC(F)[C@H](NCc1cn(C2CCC2)nn1)c1cccc(Cl)c1
InChIInChI=1S/C15H17ClF2N4/c16-11-4-1-3-10(7-11)14(15(17)18)19-8-12-9-22(21-20-12)13-5-2-6-13/h1,3-4,7,9,13-15,19H,2,5-6,8H2/t14-/m1/s1
InChIKeyQFTJCMBUGUJWQQ-CQSZACIVSA-N
XLogP3.75
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-(3-chlorophenyl)-N-[(1-cyclobutyltriazol-4-yl)methyl]-2,2-difluoroethanamine 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

1-(4-chlorophenyl)-N-methyl-N-[[1-(1-methylpiperidin-3-yl)triazol-4-yl]methyl]methanamine
CID 127038188
1-[(3-Chlorophenyl)methyl]-4-hexyl-triazole
CID 60145055
1-[(3-Chlorophenyl)methyl]-4-decyl-triazole
CID 60145056
3-(1-Benzyltriazol-4-yl)propan-1-amine;hydrochloride
CID 137646404
2-(1-Benzyltriazol-4-yl)ethanamine;hydrochloride
CID 137651976
2-N-[(4-chlorophenyl)methyl]-1-N-ethyl-3-(4-phenyltriazol-1-yl)propane-1,2-diamine
CID 162644267
2-N-[(2-chlorophenyl)methyl]-1-N-methyl-3-(4-phenyltriazol-1-yl)propane-1,2-diamine
CID 162664341
N-[(1-benzyltriazol-4-yl)methyl]cycloheptanamine
CID 177371616
N-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]cycloheptanamine
CID 177371618
N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]cycloheptanamine
CID 177371619
1-(1-((3-fluorophenyl)methyl)-1H-1,2,3-triazol-4-yl)methanamine hydrochloride
CID 165993103
3-[1-[(3-Chlorophenyl)methyl]triazol-4-yl]aniline
CID 172441327

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-N-[(1-cyclobutyltriazol-4-yl)methyl]-2,2-difluoroethanamine?
The IUPAC name of (1R)-1-(3-chlorophenyl)-N-[(1-cyclobutyltriazol-4-yl)methyl]-2,2-difluoroethanamine (CID 164631742) is (1R)-1-(3-chlorophenyl)-N-[(1-cyclobutyltriazol-4-yl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-N-[(1-cyclobutyltriazol-4-yl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-N-[(1-cyclobutyltriazol-4-yl)methyl]-2,2-difluoroethanamine is FC(F)[C@H](NCc1cn(C2CCC2)nn1)c1cccc(Cl)c1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-N-[(1-cyclobutyltriazol-4-yl)methyl]-2,2-difluoroethanamine?
The InChIKey is QFTJCMBUGUJWQQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17ClF2N4/c16-11-4-1-3-10(7-11)14(15(17)18)19-8-12-9-22(21-20-12)13-5-2-6-13/h1,3-4,7,9,13-15,19H,2,5-6,8H2/t14-/m1/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-N-[(1-cyclobutyltriazol-4-yl)methyl]-2,2-difluoroethanamine?
(1R)-1-(3-chlorophenyl)-N-[(1-cyclobutyltriazol-4-yl)methyl]-2,2-difluoroethanamine has a molecular weight of 326.78 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-N-[(1-cyclobutyltriazol-4-yl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 164631742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).