N-[1-(oxolan-3-yl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine

C18H28N2O — CID 115704704

IUPACN-[1-(oxolan-3-yl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
SMILESCC(NCC(c1ccccc1)N1CCCC1)C1CCOC1
InChIInChI=1S/C18H28N2O/c1-15(17-9-12-21-14-17)19-13-18(20-10-5-6-11-20)16-7-3-2-4-8-16/h2-4,7-8,15,17-19H,5-6,9-14H2,1H3
InChIKeyOGNHCGQXGHZBPF-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.84
Rot. Bonds6

About N-[1-(oxolan-3-yl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine

N-[1-(oxolan-3-yl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine (PubChem CID 115704704) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
PubChem CID115704704
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-[1-(oxolan-3-yl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
SMILESCC(NCC(c1ccccc1)N1CCCC1)C1CCOC1
InChIInChI=1S/C18H28N2O/c1-15(17-9-12-21-14-17)19-13-18(20-10-5-6-11-20)16-7-3-2-4-8-16/h2-4,7-8,15,17-19H,5-6,9-14H2,1H3
InChIKeyOGNHCGQXGHZBPF-UHFFFAOYSA-N
XLogP2.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propan-2-amine
CID 115704706
N-[1-(oxan-4-yl)ethyl]-2-phenylpropan-1-amine
CID 113259795
2-methyl-1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111326635
3-(1-phenylethyl)oxolane
CID 150323599
N-[1-(1-methylcyclopropyl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43363202
N-benzyl-1-(oxan-3-yl)ethanamine
CID 130667431
1-(oxolan-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 115714244
1-(oxolan-3-yl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 115708798
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
2-[1-(oxolan-3-yl)ethylamino]-N-phenylacetamide
CID 115713791
1-(2,6-difluorophenyl)-2-[1-(oxolan-3-yl)ethylamino]ethanol
CID 115891595
N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]morpholine-4-sulfonamide
CID 94177877

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[1-(oxolan-3-yl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine (CID 115704704) is N-[1-(oxolan-3-yl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[1-(oxolan-3-yl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[1-(oxolan-3-yl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine is CC(NCC(c1ccccc1)N1CCCC1)C1CCOC1.
What is the InChIKey of N-[1-(oxolan-3-yl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine?
The InChIKey is OGNHCGQXGHZBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15(17-9-12-21-14-17)19-13-18(20-10-5-6-11-20)16-7-3-2-4-8-16/h2-4,7-8,15,17-19H,5-6,9-14H2,1H3.
What are the key properties of N-[1-(oxolan-3-yl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine?
N-[1-(oxolan-3-yl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine has a molecular weight of 288.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 115704704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).