N-[[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]ethanamine

C16H26N2O — CID 64583996

IUPACN-[[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(CN2CCC(COC)C2)c1
InChIInChI=1S/C16H26N2O/c1-3-17-10-14-5-4-6-15(9-14)11-18-8-7-16(12-18)13-19-2/h4-6,9,16-17H,3,7-8,10-13H2,1-2H3
InChIKeyBUWQQQOIWGAQJL-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.26
Rot. Bonds7

About N-[[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]ethanamine

N-[[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]ethanamine (PubChem CID 64583996) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]ethanamine
PubChem CID64583996
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(CN2CCC(COC)C2)c1
InChIInChI=1S/C16H26N2O/c1-3-17-10-14-5-4-6-15(9-14)11-18-8-7-16(12-18)13-19-2/h4-6,9,16-17H,3,7-8,10-13H2,1-2H3
InChIKeyBUWQQQOIWGAQJL-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]ethanamine with MolForge

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Related Compounds

1-[[3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole
CID 99937518
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]methyl]propan-2-amine
CID 63980069
N-[[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]propan-1-amine
CID 64583399
3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]benzenecarbothioamide
CID 64599126
N-[[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-3-yl]methyl]ethanamine
CID 64582188
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 55216612
N-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methyl]ethanamine
CID 66371224
3-(methoxymethyl)-N'-methyl-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111737427
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
N-[[3-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]ethanamine
CID 64598197
methyl 3-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]benzoate;hydrochloride
CID 120842629
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927879

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]ethanamine (CID 64583996) is N-[[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]ethanamine is CCNCc1cccc(CN2CCC(COC)C2)c1.
What is the InChIKey of N-[[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]ethanamine?
The InChIKey is BUWQQQOIWGAQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-17-10-14-5-4-6-15(9-14)11-18-8-7-16(12-18)13-19-2/h4-6,9,16-17H,3,7-8,10-13H2,1-2H3.
What are the key properties of N-[[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]ethanamine?
N-[[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 64583996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).