3,3,3-trifluoro-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine

C9H14F3N3 — CID 64554814

IUPAC3,3,3-trifluoro-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
SMILESCn1ccnc1CCNCCC(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-15-7-6-14-8(15)2-4-13-5-3-9(10,11)12/h6-7,13H,2-5H2,1H3
InChIKeyXYLPUYZXLPBKHM-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.50
Rot. Bonds5

About 3,3,3-trifluoro-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine

3,3,3-trifluoro-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 64554814) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
PubChem CID64554814
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name3,3,3-trifluoro-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
SMILESCn1ccnc1CCNCCC(F)(F)F
InChIInChI=1S/C9H14F3N3/c1-15-7-6-14-8(15)2-4-13-5-3-9(10,11)12/h6-7,13H,2-5H2,1H3
InChIKeyXYLPUYZXLPBKHM-UHFFFAOYSA-N
XLogP1.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,3,3-trifluoro-N-[2-(1-methylimidazol-2-yl)ethyl]propan-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-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 107445440
N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 61214559
N-(2-tert-butylsulfonylethyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 106723544
2-(1-methylimidazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 61214878
1,1-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 114527728
2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol
CID 114493001
N-[2-(2-chloroethoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 114531748
3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 64503736
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine
CID 106328740
N'-hydroxy-2,2-dimethyl-5-[2-(1-methylimidazol-2-yl)ethylamino]pentanimidamide
CID 77063115
4-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527511

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine (CID 64554814) is 3,3,3-trifluoro-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine is Cn1ccnc1CCNCCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is XYLPUYZXLPBKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-15-7-6-14-8(15)2-4-13-5-3-9(10,11)12/h6-7,13H,2-5H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine?
3,3,3-trifluoro-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 221.23 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 64554814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).