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

C11H18F3N3 — CID 99949207

IUPAC(2S)-3,3,3-trifluoro-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
SMILESCc1nccn1CCN(C)C[C@H](C)C(F)(F)F
InChIInChI=1S/C11H18F3N3/c1-9(11(12,13)14)8-16(3)6-7-17-5-4-15-10(17)2/h4-5,9H,6-8H2,1-3H3/t9-/m0/s1
InChIKeyYKJUKQVPAIZEAW-VIFPVBQESA-N
MW249.28 g/mol
LogP2.32
Rot. Bonds5

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

(2S)-3,3,3-trifluoro-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine (PubChem CID 99949207) has the molecular formula C11H18F3N3 and a molecular weight of 249.28 g/mol. Its IUPAC name is (2S)-3,3,3-trifluoro-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name(2S)-3,3,3-trifluoro-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
PubChem CID99949207
Molecular FormulaC11H18F3N3
Molecular Weight249.28 g/mol
Exact Mass249.15
IUPAC Name(2S)-3,3,3-trifluoro-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
SMILESCc1nccn1CCN(C)C[C@H](C)C(F)(F)F
InChIInChI=1S/C11H18F3N3/c1-9(11(12,13)14)8-16(3)6-7-17-5-4-15-10(17)2/h4-5,9H,6-8H2,1-3H3/t9-/m0/s1
InChIKeyYKJUKQVPAIZEAW-VIFPVBQESA-N
XLogP2.32
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3,3,3-trifluoro-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine?
The IUPAC name of (2S)-3,3,3-trifluoro-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine (CID 99949207) is (2S)-3,3,3-trifluoro-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for (2S)-3,3,3-trifluoro-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine?
The canonical SMILES for (2S)-3,3,3-trifluoro-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine is Cc1nccn1CCN(C)C[C@H](C)C(F)(F)F.
What is the InChIKey of (2S)-3,3,3-trifluoro-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine?
The InChIKey is YKJUKQVPAIZEAW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18F3N3/c1-9(11(12,13)14)8-16(3)6-7-17-5-4-15-10(17)2/h4-5,9H,6-8H2,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-3,3,3-trifluoro-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine?
(2S)-3,3,3-trifluoro-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine has a molecular weight of 249.28 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3,3-trifluoro-N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 99949207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).