1-(2-phenylethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-3-amine

C16H21F3N2 — CID 106210405

IUPAC1-(2-phenylethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-3-amine
SMILESFC(F)(F)C1(NC2CCN(CCc3ccccc3)C2)CC1
InChIInChI=1S/C16H21F3N2/c17-16(18,19)15(8-9-15)20-14-7-11-21(12-14)10-6-13-4-2-1-3-5-13/h1-5,14,20H,6-12H2
InChIKeyRWBMDORPIWGOMT-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.99
Rot. Bonds5

About 1-(2-phenylethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-3-amine

1-(2-phenylethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-3-amine (PubChem CID 106210405) has the molecular formula C16H21F3N2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(2-phenylethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-phenylethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-3-amine
PubChem CID106210405
Molecular FormulaC16H21F3N2
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name1-(2-phenylethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-3-amine
SMILESFC(F)(F)C1(NC2CCN(CCc3ccccc3)C2)CC1
InChIInChI=1S/C16H21F3N2/c17-16(18,19)15(8-9-15)20-14-7-11-21(12-14)10-6-13-4-2-1-3-5-13/h1-5,14,20H,6-12H2
InChIKeyRWBMDORPIWGOMT-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]piperazin-1-amine
CID 83010441
1,1-dimethyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]hydrazine
CID 83004992
N-[(1-fluorocyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 136538799
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 61212508
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine
CID 61211753
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819
tert-butyl N-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]carbamate
CID 107237024
1-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclobutane-1-carboxylic acid
CID 122556302
1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine
CID 13306762
(3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71648802

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-3-amine?
The IUPAC name of 1-(2-phenylethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-3-amine (CID 106210405) is 1-(2-phenylethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-(2-phenylethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-3-amine?
The canonical SMILES for 1-(2-phenylethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-3-amine is FC(F)(F)C1(NC2CCN(CCc3ccccc3)C2)CC1.
What is the InChIKey of 1-(2-phenylethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-3-amine?
The InChIKey is RWBMDORPIWGOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2/c17-16(18,19)15(8-9-15)20-14-7-11-21(12-14)10-6-13-4-2-1-3-5-13/h1-5,14,20H,6-12H2.
What are the key properties of 1-(2-phenylethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-3-amine?
1-(2-phenylethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-3-amine has a molecular weight of 298.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-3-amine is sourced from PubChem (CID 106210405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).