(2S)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine

C21H23FN2O2 — CID 30741134

IUPAC(2S)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
SMILESFc1ccccc1-c1ccc(CNC[C@@H](c2ccco2)N2CCCC2)o1
InChIInChI=1S/C21H23FN2O2/c22-18-7-2-1-6-17(18)20-10-9-16(26-20)14-23-15-19(21-8-5-13-25-21)24-11-3-4-12-24/h1-2,5-10,13,19,23H,3-4,11-12,14-15H2/t19-/m0/s1
InChIKeyVGCUQQDPHMDYCV-IBGZPJMESA-N
MW354.43 g/mol
LogP4.61
Rot. Bonds7

About (2S)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine

(2S)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine (PubChem CID 30741134) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is (2S)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name(2S)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
PubChem CID30741134
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name(2S)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
SMILESFc1ccccc1-c1ccc(CNC[C@@H](c2ccco2)N2CCCC2)o1
InChIInChI=1S/C21H23FN2O2/c22-18-7-2-1-6-17(18)20-10-9-16(26-20)14-23-15-19(21-8-5-13-25-21)24-11-3-4-12-24/h1-2,5-10,13,19,23H,3-4,11-12,14-15H2/t19-/m0/s1
InChIKeyVGCUQQDPHMDYCV-IBGZPJMESA-N
XLogP4.61
TPSA41.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine with MolForge

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Related Compounds

N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 4723490
N-(furan-2-ylmethyl)-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180875
N-[(4-chlorophenyl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43081423
(2R)-1-[[5-(2-fluorophenyl)furan-2-yl]methylamino]-3-morpholin-4-ylpropan-2-ol
CID 8024988
N-(cyclopropylmethyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43654889
2-(furan-2-yl)-N-[(4-methylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43181232
4-[[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methyl]phenol
CID 43181226
2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 22692497
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylpropan-1-amine
CID 83380875
1-(2-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 41013932
2-(furan-2-yl)-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)ethanamine
CID 43181246
(2S)-2-(furan-2-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 9453091

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of (2S)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine (CID 30741134) is (2S)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for (2S)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for (2S)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine is Fc1ccccc1-c1ccc(CNC[C@@H](c2ccco2)N2CCCC2)o1.
What is the InChIKey of (2S)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is VGCUQQDPHMDYCV-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-18-7-2-1-6-17(18)20-10-9-16(26-20)14-23-15-19(21-8-5-13-25-21)24-11-3-4-12-24/h1-2,5-10,13,19,23H,3-4,11-12,14-15H2/t19-/m0/s1.
What are the key properties of (2S)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine?
(2S)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 354.43 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 30741134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).