1-(3-fluoropyrrolidin-1-yl)-N-methyl-3-(4-phenylmethoxyphenyl)propan-2-amine

C21H27FN2O — CID 129294850

IUPAC1-(3-fluoropyrrolidin-1-yl)-N-methyl-3-(4-phenylmethoxyphenyl)propan-2-amine
SMILESCNC(Cc1ccc(OCc2ccccc2)cc1)CN1CCC(F)C1
InChIInChI=1S/C21H27FN2O/c1-23-20(15-24-12-11-19(22)14-24)13-17-7-9-21(10-8-17)25-16-18-5-3-2-4-6-18/h2-10,19-20,23H,11-16H2,1H3
InChIKeyRXWPMIMTGNKHFO-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.44
Rot. Bonds8

About 1-(3-fluoropyrrolidin-1-yl)-N-methyl-3-(4-phenylmethoxyphenyl)propan-2-amine

1-(3-fluoropyrrolidin-1-yl)-N-methyl-3-(4-phenylmethoxyphenyl)propan-2-amine (PubChem CID 129294850) has the molecular formula C21H27FN2O and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-(3-fluoropyrrolidin-1-yl)-N-methyl-3-(4-phenylmethoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluoropyrrolidin-1-yl)-N-methyl-3-(4-phenylmethoxyphenyl)propan-2-amine
PubChem CID129294850
Molecular FormulaC21H27FN2O
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC Name1-(3-fluoropyrrolidin-1-yl)-N-methyl-3-(4-phenylmethoxyphenyl)propan-2-amine
SMILESCNC(Cc1ccc(OCc2ccccc2)cc1)CN1CCC(F)C1
InChIInChI=1S/C21H27FN2O/c1-23-20(15-24-12-11-19(22)14-24)13-17-7-9-21(10-8-17)25-16-18-5-3-2-4-6-18/h2-10,19-20,23H,11-16H2,1H3
InChIKeyRXWPMIMTGNKHFO-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-methyl-1-phenyl-3-piperidin-1-ylpropan-2-amine
CID 101204001
N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119922484
N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922021
1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084979
1-(2-phenoxypropyl)-4-phenylmethoxybenzene
CID 150936303
benzyl N-[1-(4-methylpiperidin-1-yl)-3-phenylpropan-2-yl]carbamate
CID 173218035
(3S)-3-(methylamino)-4-(4-phenylmethoxyphenyl)butan-2-one
CID 58904369
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-3-(4-phenylmethoxyphenyl)propanamide
CID 54424840
(3R)-3-fluoro-1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidine
CID 178065004
4-(4-methoxyphenyl)-N-methyl-1-(4-phenylmethoxyphenyl)but-3-yn-2-amine
CID 126744122
N-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine
CID 119905641
(3R)-1-[(4-phenylmethoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidine
CID 28784062

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropyrrolidin-1-yl)-N-methyl-3-(4-phenylmethoxyphenyl)propan-2-amine?
The IUPAC name of 1-(3-fluoropyrrolidin-1-yl)-N-methyl-3-(4-phenylmethoxyphenyl)propan-2-amine (CID 129294850) is 1-(3-fluoropyrrolidin-1-yl)-N-methyl-3-(4-phenylmethoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-fluoropyrrolidin-1-yl)-N-methyl-3-(4-phenylmethoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(3-fluoropyrrolidin-1-yl)-N-methyl-3-(4-phenylmethoxyphenyl)propan-2-amine is CNC(Cc1ccc(OCc2ccccc2)cc1)CN1CCC(F)C1.
What is the InChIKey of 1-(3-fluoropyrrolidin-1-yl)-N-methyl-3-(4-phenylmethoxyphenyl)propan-2-amine?
The InChIKey is RXWPMIMTGNKHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O/c1-23-20(15-24-12-11-19(22)14-24)13-17-7-9-21(10-8-17)25-16-18-5-3-2-4-6-18/h2-10,19-20,23H,11-16H2,1H3.
What are the key properties of 1-(3-fluoropyrrolidin-1-yl)-N-methyl-3-(4-phenylmethoxyphenyl)propan-2-amine?
1-(3-fluoropyrrolidin-1-yl)-N-methyl-3-(4-phenylmethoxyphenyl)propan-2-amine has a molecular weight of 342.46 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropyrrolidin-1-yl)-N-methyl-3-(4-phenylmethoxyphenyl)propan-2-amine is sourced from PubChem (CID 129294850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).