6,6,6-trifluoro-N-[1-(1-phenylimidazol-2-yl)ethyl]hexan-2-amine

C17H22F3N3 — CID 136542609

IUPAC6,6,6-trifluoro-N-[1-(1-phenylimidazol-2-yl)ethyl]hexan-2-amine
SMILESCC(CCCC(F)(F)F)NC(C)c1nccn1-c1ccccc1
InChIInChI=1S/C17H22F3N3/c1-13(7-6-10-17(18,19)20)22-14(2)16-21-11-12-23(16)15-8-4-3-5-9-15/h3-5,8-9,11-14,22H,6-7,10H2,1-2H3
InChIKeyLKALILNLMIKVPW-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.64
Rot. Bonds7

About 6,6,6-trifluoro-N-[1-(1-phenylimidazol-2-yl)ethyl]hexan-2-amine

6,6,6-trifluoro-N-[1-(1-phenylimidazol-2-yl)ethyl]hexan-2-amine (PubChem CID 136542609) has the molecular formula C17H22F3N3 and a molecular weight of 325.38 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-[1-(1-phenylimidazol-2-yl)ethyl]hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-[1-(1-phenylimidazol-2-yl)ethyl]hexan-2-amine
PubChem CID136542609
Molecular FormulaC17H22F3N3
Molecular Weight325.38 g/mol
Exact Mass325.18
IUPAC Name6,6,6-trifluoro-N-[1-(1-phenylimidazol-2-yl)ethyl]hexan-2-amine
SMILESCC(CCCC(F)(F)F)NC(C)c1nccn1-c1ccccc1
InChIInChI=1S/C17H22F3N3/c1-13(7-6-10-17(18,19)20)22-14(2)16-21-11-12-23(16)15-8-4-3-5-9-15/h3-5,8-9,11-14,22H,6-7,10H2,1-2H3
InChIKeyLKALILNLMIKVPW-UHFFFAOYSA-N
XLogP4.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,6,6-trifluoro-N-[1-(1-phenylimidazol-2-yl)ethyl]hexan-2-amine 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 6,6,6-trifluoro-N-[1-(1-phenylimidazol-2-yl)ethyl]hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-[1-(1-phenylimidazol-2-yl)ethyl]hexan-2-amine (CID 136542609) is 6,6,6-trifluoro-N-[1-(1-phenylimidazol-2-yl)ethyl]hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-[1-(1-phenylimidazol-2-yl)ethyl]hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-[1-(1-phenylimidazol-2-yl)ethyl]hexan-2-amine is CC(CCCC(F)(F)F)NC(C)c1nccn1-c1ccccc1.
What is the InChIKey of 6,6,6-trifluoro-N-[1-(1-phenylimidazol-2-yl)ethyl]hexan-2-amine?
The InChIKey is LKALILNLMIKVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3/c1-13(7-6-10-17(18,19)20)22-14(2)16-21-11-12-23(16)15-8-4-3-5-9-15/h3-5,8-9,11-14,22H,6-7,10H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-N-[1-(1-phenylimidazol-2-yl)ethyl]hexan-2-amine?
6,6,6-trifluoro-N-[1-(1-phenylimidazol-2-yl)ethyl]hexan-2-amine has a molecular weight of 325.38 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-[1-(1-phenylimidazol-2-yl)ethyl]hexan-2-amine is sourced from PubChem (CID 136542609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).