2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine

C13H17F3N2 — CID 43755063

IUPAC2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
SMILESFC(F)(F)CNCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C13H17F3N2/c14-13(15,16)10-17-9-11-3-5-12(6-4-11)18-7-1-2-8-18/h3-6,17H,1-2,7-10H2
InChIKeyLCPVNHLIPNLSAL-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.94
Rot. Bonds4

About 2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine

2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine (PubChem CID 43755063) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
PubChem CID43755063
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
SMILESFC(F)(F)CNCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C13H17F3N2/c14-13(15,16)10-17-9-11-3-5-12(6-4-11)18-7-1-2-8-18/h3-6,17H,1-2,7-10H2
InChIKeyLCPVNHLIPNLSAL-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 63226462
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
4-[[4-(azepan-1-yl)phenyl]methylamino]-3,3-dimethylbutan-1-ol
CID 111470651
3,3-dimethyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]butan-1-amine
CID 115594019
2-pyrrolidin-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43767984
N-[(4-pyrrolidin-1-ylphenyl)methyl]prop-2-en-1-amine
CID 43755382
2-(furan-2-yl)-1-[(4-piperidin-1-ylphenyl)methylamino]propan-2-ol
CID 111468727
(4-pyrrolidin-1-ylphenyl)methylhydrazine
CID 22728051
1,1-difluoro-3-[(4-pyrrolidin-1-ylphenyl)methylamino]propan-2-ol
CID 103731452
N-[[4-(azocan-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63061073
2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]prop-2-en-1-amine
CID 115614908
N-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine
CID 29042784

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine (CID 43755063) is 2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine is FC(F)(F)CNCc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine?
The InChIKey is LCPVNHLIPNLSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c14-13(15,16)10-17-9-11-3-5-12(6-4-11)18-7-1-2-8-18/h3-6,17H,1-2,7-10H2.
What are the key properties of 2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine?
2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine has a molecular weight of 258.29 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 43755063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).