N-methyl-1-[1-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidin-3-yl]methanamine

C17H26N2O2 — CID 54792777

IUPACN-methyl-1-[1-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(c2cccc(OCC3CCCO3)c2)C1
InChIInChI=1S/C17H26N2O2/c1-18-11-14-7-8-19(12-14)15-4-2-5-16(10-15)21-13-17-6-3-9-20-17/h2,4-5,10,14,17-18H,3,6-9,11-13H2,1H3
InChIKeyWQTQIZDTKKGOHM-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.29
Rot. Bonds6

About N-methyl-1-[1-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidin-3-yl]methanamine

N-methyl-1-[1-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidin-3-yl]methanamine (PubChem CID 54792777) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-methyl-1-[1-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidin-3-yl]methanamine
PubChem CID54792777
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-methyl-1-[1-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(c2cccc(OCC3CCCO3)c2)C1
InChIInChI=1S/C17H26N2O2/c1-18-11-14-7-8-19(12-14)15-4-2-5-16(10-15)21-13-17-6-3-9-20-17/h2,4-5,10,14,17-18H,3,6-9,11-13H2,1H3
InChIKeyWQTQIZDTKKGOHM-UHFFFAOYSA-N
XLogP2.29
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
N-methyl-1-(1-naphthalen-2-ylpyrrolidin-3-yl)methanamine
CID 62513770
2-[(3-tert-butylphenoxy)methyl]oxolane
CID 59734486
2-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]isoindole-1,3-dione
CID 41444589
N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine
CID 54804154
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
1-[3-(oxiran-2-ylmethoxy)phenyl]pyrrolidine
CID 146098529
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119713691
[3-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43199011
N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43278533
1-[[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075805
3-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 24696878

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidin-3-yl]methanamine (CID 54792777) is N-methyl-1-[1-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidin-3-yl]methanamine is CNCC1CCN(c2cccc(OCC3CCCO3)c2)C1.
What is the InChIKey of N-methyl-1-[1-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidin-3-yl]methanamine?
The InChIKey is WQTQIZDTKKGOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-18-11-14-7-8-19(12-14)15-4-2-5-16(10-15)21-13-17-6-3-9-20-17/h2,4-5,10,14,17-18H,3,6-9,11-13H2,1H3.
What are the key properties of N-methyl-1-[1-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidin-3-yl]methanamine?
N-methyl-1-[1-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidin-3-yl]methanamine has a molecular weight of 290.41 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[3-(oxolan-2-ylmethoxy)phenyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 54792777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).