N-[[2-(methoxymethyl)phenyl]methyl]-1-pyrrolidin-2-ylpropan-2-amine

C16H26N2O — CID 79540165

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-1-pyrrolidin-2-ylpropan-2-amine
SMILESCOCc1ccccc1CNC(C)CC1CCCN1
InChIInChI=1S/C16H26N2O/c1-13(10-16-8-5-9-17-16)18-11-14-6-3-4-7-15(14)12-19-2/h3-4,6-7,13,16-18H,5,8-12H2,1-2H3
InChIKeyJETVSXBULTZHAV-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.45
Rot. Bonds7

About N-[[2-(methoxymethyl)phenyl]methyl]-1-pyrrolidin-2-ylpropan-2-amine

N-[[2-(methoxymethyl)phenyl]methyl]-1-pyrrolidin-2-ylpropan-2-amine (PubChem CID 79540165) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-1-pyrrolidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-1-pyrrolidin-2-ylpropan-2-amine
PubChem CID79540165
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-1-pyrrolidin-2-ylpropan-2-amine
SMILESCOCc1ccccc1CNC(C)CC1CCCN1
InChIInChI=1S/C16H26N2O/c1-13(10-16-8-5-9-17-16)18-11-14-6-3-4-7-15(14)12-19-2/h3-4,6-7,13,16-18H,5,8-12H2,1-2H3
InChIKeyJETVSXBULTZHAV-UHFFFAOYSA-N
XLogP2.45
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline
CID 79559708
N-[[2-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 61363866
N-[(2-methyl-3-nitrophenyl)methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 103114742
1-(azepan-2-yl)-N-phenylmethoxypropan-2-amine
CID 82710017
(1R)-1-cyclopentyl-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 81395717
1-(azepan-2-yl)-N-(1,3-benzodioxol-4-ylmethyl)propan-2-amine
CID 79540466
N-[(4-methylphenyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 79548722
1-piperidin-2-yl-N-(thiophen-2-ylmethyl)propan-2-amine
CID 79548872
N-[[2-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603473
N-[[2-(methoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 60740965
N-[[2-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54861778
1-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol
CID 79540027

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-1-pyrrolidin-2-ylpropan-2-amine?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-1-pyrrolidin-2-ylpropan-2-amine (CID 79540165) is N-[[2-(methoxymethyl)phenyl]methyl]-1-pyrrolidin-2-ylpropan-2-amine.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-1-pyrrolidin-2-ylpropan-2-amine?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-1-pyrrolidin-2-ylpropan-2-amine is COCc1ccccc1CNC(C)CC1CCCN1.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-1-pyrrolidin-2-ylpropan-2-amine?
The InChIKey is JETVSXBULTZHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(10-16-8-5-9-17-16)18-11-14-6-3-4-7-15(14)12-19-2/h3-4,6-7,13,16-18H,5,8-12H2,1-2H3.
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-1-pyrrolidin-2-ylpropan-2-amine?
N-[[2-(methoxymethyl)phenyl]methyl]-1-pyrrolidin-2-ylpropan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-1-pyrrolidin-2-ylpropan-2-amine is sourced from PubChem (CID 79540165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).