N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]propan-2-amine

C10H19F3N2 — CID 122693612

IUPACN-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]propan-2-amine
SMILESCC(C)NCCN1CCC[C@H]1C(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-8(2)14-5-7-15-6-3-4-9(15)10(11,12)13/h8-9,14H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyYARKZBYLYHWFEQ-VIFPVBQESA-N
MW224.27 g/mol
LogP2.01
Rot. Bonds4

About N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]propan-2-amine

N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]propan-2-amine (PubChem CID 122693612) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]propan-2-amine
PubChem CID122693612
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC NameN-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]propan-2-amine
SMILESCC(C)NCCN1CCC[C@H]1C(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-8(2)14-5-7-15-6-3-4-9(15)10(11,12)13/h8-9,14H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyYARKZBYLYHWFEQ-VIFPVBQESA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Aminomethyl-1-ethylpyrrolidine
CID 117295
(S)-(-)-2-Aminomethyl-1-ethylpyrrolidine
CID 643457
(2R)-1-Ethyl-2-pyrrolidinemethanamine
CID 854138
(S)-N-Ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 7141622
2-(2-Methylpyrrolidin-1-yl)ethan-1-amine
CID 15154301
(R)-N-Ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 7141624
(S)-(1-propylpyrrolidin-2-yl)methanamine
CID 12829005
[(2S)-1-butylpyrrolidin-2-yl]methanamine
CID 12829008
(1-(2,2,2-Trifluoroethyl)pyrrolidin-2-yl)methanamine
CID 13018946
methyl[(2S)-1-(pyrrolidin-1-yl)propan-2-yl]amine
CID 14804464
methyl({[(2S)-1-methylpyrrolidin-2-yl]methyl})amine
CID 45087357
[(2R)-1-(propan-2-yl)pyrrolidin-2-yl]methanamine
CID 57700712

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]propan-2-amine (CID 122693612) is N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]propan-2-amine is CC(C)NCCN1CCC[C@H]1C(F)(F)F.
What is the InChIKey of N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]propan-2-amine?
The InChIKey is YARKZBYLYHWFEQ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19F3N2/c1-8(2)14-5-7-15-6-3-4-9(15)10(11,12)13/h8-9,14H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]propan-2-amine?
N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]propan-2-amine has a molecular weight of 224.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]propan-2-amine is sourced from PubChem (CID 122693612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).