1-(2-methoxyphenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine

C17H25F3N2O — CID 119165105

IUPAC1-(2-methoxyphenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCOc1ccccc1CC(C)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C17H25F3N2O/c1-13(9-15-5-3-4-6-16(15)23-2)21-10-14-7-8-22(11-14)12-17(18,19)20/h3-6,13-14,21H,7-12H2,1-2H3
InChIKeyLXLQNEWYRWQNNT-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.10
Rot. Bonds7

About 1-(2-methoxyphenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine

1-(2-methoxyphenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 119165105) has the molecular formula C17H25F3N2O and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID119165105
Molecular FormulaC17H25F3N2O
Molecular Weight330.39 g/mol
Exact Mass330.19
IUPAC Name1-(2-methoxyphenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCOc1ccccc1CC(C)NCC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C17H25F3N2O/c1-13(9-15-5-3-4-6-16(15)23-2)21-10-14-7-8-22(11-14)12-17(18,19)20/h3-6,13-14,21H,7-12H2,1-2H3
InChIKeyLXLQNEWYRWQNNT-UHFFFAOYSA-N
XLogP3.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 60856631
1-(4-fluorophenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 84588050
(2S)-1-(4-fluorophenyl)-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 97230283
1-[(2-methoxyphenyl)methyl]-1,2-dimethyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111281720
N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 60936319
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111338846
1-thiophen-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60855966
N-[[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62512223
1-ethylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 115900778
1-pyridin-3-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]ethanamine
CID 60855968
N-[(3,4-dimethoxyphenyl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 119127001
N-[[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 104792407

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine (CID 119165105) is 1-(2-methoxyphenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine is COc1ccccc1CC(C)NCC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is LXLQNEWYRWQNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O/c1-13(9-15-5-3-4-6-16(15)23-2)21-10-14-7-8-22(11-14)12-17(18,19)20/h3-6,13-14,21H,7-12H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine?
1-(2-methoxyphenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 330.39 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 119165105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).