(1R)-1-(furan-2-yl)-N,N-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

C14H16F3N3O — CID 51969104

IUPAC(1R)-1-(furan-2-yl)-N,N-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESCN(C)[C@H](CNc1ccc(C(F)(F)F)cn1)c1ccco1
InChIInChI=1S/C14H16F3N3O/c1-20(2)11(12-4-3-7-21-12)9-19-13-6-5-10(8-18-13)14(15,16)17/h3-8,11H,9H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyNRPRNMMXOSEXQW-LLVKDONJSA-N
MW299.30 g/mol
LogP3.41
Rot. Bonds5

About (1R)-1-(furan-2-yl)-N,N-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

(1R)-1-(furan-2-yl)-N,N-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 51969104) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is (1R)-1-(furan-2-yl)-N,N-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-1-(furan-2-yl)-N,N-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
PubChem CID51969104
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name(1R)-1-(furan-2-yl)-N,N-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESCN(C)[C@H](CNc1ccc(C(F)(F)F)cn1)c1ccco1
InChIInChI=1S/C14H16F3N3O/c1-20(2)11(12-4-3-7-21-12)9-19-13-6-5-10(8-18-13)14(15,16)17/h3-8,11H,9H2,1-2H3,(H,18,19)/t11-/m1/s1
InChIKeyNRPRNMMXOSEXQW-LLVKDONJSA-N
XLogP3.41
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-(furan-2-yl)-N,N-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(furan-2-yl)-N,N-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of (1R)-1-(furan-2-yl)-N,N-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (CID 51969104) is (1R)-1-(furan-2-yl)-N,N-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for (1R)-1-(furan-2-yl)-N,N-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for (1R)-1-(furan-2-yl)-N,N-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is CN(C)[C@H](CNc1ccc(C(F)(F)F)cn1)c1ccco1.
What is the InChIKey of (1R)-1-(furan-2-yl)-N,N-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is NRPRNMMXOSEXQW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-20(2)11(12-4-3-7-21-12)9-19-13-6-5-10(8-18-13)14(15,16)17/h3-8,11H,9H2,1-2H3,(H,18,19)/t11-/m1/s1.
What are the key properties of (1R)-1-(furan-2-yl)-N,N-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
(1R)-1-(furan-2-yl)-N,N-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 299.30 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(furan-2-yl)-N,N-dimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 51969104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).