N-[1-(oxolan-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline

C17H26N2O — CID 115918177

IUPACN-[1-(oxolan-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline
SMILESCC(Nc1cccc(CN2CCCC2)c1)C1CCOC1
InChIInChI=1S/C17H26N2O/c1-14(16-7-10-20-13-16)18-17-6-4-5-15(11-17)12-19-8-2-3-9-19/h4-6,11,14,16,18H,2-3,7-10,12-13H2,1H3
InChIKeyPRMUCTNZWOXKHU-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.12
Rot. Bonds5

About N-[1-(oxolan-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline

N-[1-(oxolan-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline (PubChem CID 115918177) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline
PubChem CID115918177
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[1-(oxolan-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline
SMILESCC(Nc1cccc(CN2CCCC2)c1)C1CCOC1
InChIInChI=1S/C17H26N2O/c1-14(16-7-10-20-13-16)18-17-6-4-5-15(11-17)12-19-8-2-3-9-19/h4-6,11,14,16,18H,2-3,7-10,12-13H2,1H3
InChIKeyPRMUCTNZWOXKHU-UHFFFAOYSA-N
XLogP3.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-[1-(oxan-4-yl)ethylamino]phenyl]methyl]piperidine-4-carboxamide
CID 86782658
1-[3-[1-(oxolan-3-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 115917292
1-[4-[[4-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]piperazin-1-yl]ethanone
CID 119050603
tert-butyl N-[[3-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]carbamate
CID 103936437
N-[3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide
CID 115917600
3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-N-[1-(oxolan-3-yl)ethyl]aniline
CID 119050601
3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]aniline
CID 124628154
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline
CID 106757227
3-morpholin-4-yl-N-[1-(oxan-4-yl)ethyl]aniline
CID 75497897
N-octan-2-yl-3-(pyrrolidin-1-ylmethyl)aniline
CID 43691855
N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]-3-(1H-pyrazol-5-yl)aniline
CID 124600539
N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-2-sulfonamide
CID 64590840

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline?
The IUPAC name of N-[1-(oxolan-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline (CID 115918177) is N-[1-(oxolan-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline.
What is the SMILES notation for N-[1-(oxolan-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline?
The canonical SMILES for N-[1-(oxolan-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline is CC(Nc1cccc(CN2CCCC2)c1)C1CCOC1.
What is the InChIKey of N-[1-(oxolan-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline?
The InChIKey is PRMUCTNZWOXKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14(16-7-10-20-13-16)18-17-6-4-5-15(11-17)12-19-8-2-3-9-19/h4-6,11,14,16,18H,2-3,7-10,12-13H2,1H3.
What are the key properties of N-[1-(oxolan-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline?
N-[1-(oxolan-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline has a molecular weight of 274.41 g/mol, XLogP of 3.12, 5 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]-3-(pyrrolidin-1-ylmethyl)aniline is sourced from PubChem (CID 115918177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).