4,4,4-trifluoro-N-(pyridin-2-ylmethyl)butan-1-amine

C10H13F3N2 — CID 79039082

IUPAC4,4,4-trifluoro-N-(pyridin-2-ylmethyl)butan-1-amine
SMILESFC(F)(F)CCCNCc1ccccn1
InChIInChI=1S/C10H13F3N2/c11-10(12,13)5-3-6-14-8-9-4-1-2-7-15-9/h1-2,4,7,14H,3,5-6,8H2
InChIKeyOBZYFXUVQZFAFU-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.51
Rot. Bonds5

About 4,4,4-trifluoro-N-(pyridin-2-ylmethyl)butan-1-amine

4,4,4-trifluoro-N-(pyridin-2-ylmethyl)butan-1-amine (PubChem CID 79039082) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(pyridin-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(pyridin-2-ylmethyl)butan-1-amine
PubChem CID79039082
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name4,4,4-trifluoro-N-(pyridin-2-ylmethyl)butan-1-amine
SMILESFC(F)(F)CCCNCc1ccccn1
InChIInChI=1S/C10H13F3N2/c11-10(12,13)5-3-6-14-8-9-4-1-2-7-15-9/h1-2,4,7,14H,3,5-6,8H2
InChIKeyOBZYFXUVQZFAFU-UHFFFAOYSA-N
XLogP2.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4,4,4-trifluoro-N-(pyridin-2-ylmethyl)butan-1-amine 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

N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 158855450
3-bromo-N-(pyridin-2-ylmethyl)propan-1-amine
CID 114293539
4,4,4-trifluoro-N-[(2-methylpyrimidin-4-yl)methyl]butan-1-amine
CID 115513579
4,4,4-trifluoro-N-(quinolin-2-ylmethyl)butan-1-amine
CID 79039070
4-(oxan-4-yl)-N-(pyridin-2-ylmethyl)butan-1-amine
CID 114190984
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
N-benzyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 90740224
N'-propyl-N-(pyridin-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554005
N-(pyridin-2-ylmethyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275980
3-[(4,4,4-trifluorobutylamino)methyl]pyridine-2-carbonitrile
CID 113327330
N,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 102283031

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(pyridin-2-ylmethyl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-(pyridin-2-ylmethyl)butan-1-amine (CID 79039082) is 4,4,4-trifluoro-N-(pyridin-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-(pyridin-2-ylmethyl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-(pyridin-2-ylmethyl)butan-1-amine is FC(F)(F)CCCNCc1ccccn1.
What is the InChIKey of 4,4,4-trifluoro-N-(pyridin-2-ylmethyl)butan-1-amine?
The InChIKey is OBZYFXUVQZFAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c11-10(12,13)5-3-6-14-8-9-4-1-2-7-15-9/h1-2,4,7,14H,3,5-6,8H2.
What are the key properties of 4,4,4-trifluoro-N-(pyridin-2-ylmethyl)butan-1-amine?
4,4,4-trifluoro-N-(pyridin-2-ylmethyl)butan-1-amine has a molecular weight of 218.22 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(pyridin-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 79039082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).