[5-[3-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine

C14H22N2O — CID 117341076

IUPAC[5-[3-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCOCc1cccc(C2CC(CN)CN2C)c1
InChIInChI=1S/C14H22N2O/c1-16-9-12(8-15)7-14(16)13-5-3-4-11(6-13)10-17-2/h3-6,12,14H,7-10,15H2,1-2H3
InChIKeyUIPHHEZZZMGUIM-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.78
Rot. Bonds4

About [5-[3-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine

[5-[3-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117341076) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [5-[3-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-[3-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117341076
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[5-[3-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCOCc1cccc(C2CC(CN)CN2C)c1
InChIInChI=1S/C14H22N2O/c1-16-9-12(8-15)7-14(16)13-5-3-4-11(6-13)10-17-2/h3-6,12,14H,7-10,15H2,1-2H3
InChIKeyUIPHHEZZZMGUIM-UHFFFAOYSA-N
XLogP1.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]-2-methylpropan-2-ol
CID 117117108
[5-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117384325
3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylaniline
CID 117339423
[5-(3-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117434115
[5-[2-chloro-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117425636
1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]ethane-1,2-diol
CID 117379648
[5-[2-bromo-6-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117498585
[5-(3-ethyl-5-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117374568
1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]-1-methylurea
CID 117410952
[5-[2,3-difluoro-4-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117429058
[5-(3-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol
CID 121209485
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol
CID 117314847

Frequently Asked Questions

What is the IUPAC name of [5-[3-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-[3-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine (CID 117341076) is [5-[3-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-[3-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-[3-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine is COCc1cccc(C2CC(CN)CN2C)c1.
What is the InChIKey of [5-[3-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is UIPHHEZZZMGUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-16-9-12(8-15)7-14(16)13-5-3-4-11(6-13)10-17-2/h3-6,12,14H,7-10,15H2,1-2H3.
What are the key properties of [5-[3-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine?
[5-[3-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 234.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(methoxymethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117341076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).