N-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine

C15H24N2O — CID 60883623

IUPACN-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
SMILESCNC(C)c1cccc(OCCN2CCCC2)c1
InChIInChI=1S/C15H24N2O/c1-13(16-2)14-6-5-7-15(12-14)18-11-10-17-8-3-4-9-17/h5-7,12-13,16H,3-4,8-11H2,1-2H3
InChIKeyCZBKPQJPZQUUDK-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.44
Rot. Bonds6

About N-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine

N-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine (PubChem CID 60883623) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
PubChem CID60883623
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
SMILESCNC(C)c1cccc(OCCN2CCCC2)c1
InChIInChI=1S/C15H24N2O/c1-13(16-2)14-6-5-7-15(12-14)18-11-10-17-8-3-4-9-17/h5-7,12-13,16H,3-4,8-11H2,1-2H3
InChIKeyCZBKPQJPZQUUDK-UHFFFAOYSA-N
XLogP2.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine
CID 869541
(1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 78934419
N-[1-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethyl]propan-1-amine
CID 61493819
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
N-ethyl-1-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanamine
CID 82888041
1-[2-[3-[1-(methylamino)ethyl]phenoxy]ethyl]imidazolidin-2-one
CID 43279878
N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine
CID 62936434
1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine
CID 59135331
1-[3-chloro-4-(2-piperidin-1-ylethoxy)phenyl]-N-methylethanamine
CID 62911050
1-[3-(2-imidazol-1-ylethoxy)phenyl]-N-methylethanamine
CID 60883624
1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine
CID 65176672
N-methyl-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 170714078

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine (CID 60883623) is N-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine is CNC(C)c1cccc(OCCN2CCCC2)c1.
What is the InChIKey of N-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine?
The InChIKey is CZBKPQJPZQUUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13(16-2)14-6-5-7-15(12-14)18-11-10-17-8-3-4-9-17/h5-7,12-13,16H,3-4,8-11H2,1-2H3.
What are the key properties of N-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine?
N-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine is sourced from PubChem (CID 60883623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).