1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine

C15H24N2O — CID 115316199

IUPAC1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1C(C)c1ccc(OC)cc1
InChIInChI=1S/C15H24N2O/c1-12(13-6-8-15(18-3)9-7-13)17-10-4-5-14(17)11-16-2/h6-9,12,14,16H,4-5,10-11H2,1-3H3
InChIKeyLFXCNJYIFJPOLN-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.44
Rot. Bonds5

About 1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine

1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 115316199) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
PubChem CID115316199
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1C(C)c1ccc(OC)cc1
InChIInChI=1S/C15H24N2O/c1-12(13-6-8-15(18-3)9-7-13)17-10-4-5-14(17)11-16-2/h6-9,12,14,16H,4-5,10-11H2,1-3H3
InChIKeyLFXCNJYIFJPOLN-UHFFFAOYSA-N
XLogP2.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 113284170
1-[1-[1-(4-chlorophenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316021
1-[1-[1-(4-ethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249069
N-methyl-1-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-yl]methanamine
CID 115316141
N-methyl-1-[1-[1-(4-propylphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 115316066
1-[1-[1-(2,5-dimethoxyphenyl)ethyl]piperidin-2-yl]-N-methylmethanamine
CID 63249528
N-methyl-1-[1-[1-(4-methylsulfanylphenyl)ethyl]piperidin-2-yl]methanamine
CID 63249243
1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 63251056
1-[1-[1-[3-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316160
N-methyl-1-[1-[1-(4-methyl-3-nitrophenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 115316091
2-(4-methoxyphenoxy)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119651488
2-(4-methoxyphenyl)sulfanyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119648697

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine (CID 115316199) is 1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine is CNCC1CCCN1C(C)c1ccc(OC)cc1.
What is the InChIKey of 1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is LFXCNJYIFJPOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(13-6-8-15(18-3)9-7-13)17-10-4-5-14(17)11-16-2/h6-9,12,14,16H,4-5,10-11H2,1-3H3.
What are the key properties of 1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine?
1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 115316199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).