N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine

C17H28N2O — CID 170866493

IUPACN,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
SMILESCN(C)CCCc1ccccc1OCCN1CCCC1
InChIInChI=1S/C17H28N2O/c1-18(2)11-7-9-16-8-3-4-10-17(16)20-15-14-19-12-5-6-13-19/h3-4,8,10H,5-7,9,11-15H2,1-2H3
InChIKeyZOLYNNVQIWAGJG-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.66
Rot. Bonds8

About N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine

N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine (PubChem CID 170866493) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
PubChem CID170866493
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
SMILESCN(C)CCCc1ccccc1OCCN1CCCC1
InChIInChI=1S/C17H28N2O/c1-18(2)11-7-9-16-8-3-4-10-17(16)20-15-14-19-12-5-6-13-19/h3-4,8,10H,5-7,9,11-15H2,1-2H3
InChIKeyZOLYNNVQIWAGJG-UHFFFAOYSA-N
XLogP2.66
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-butylphenoxy)ethyl]piperidine
CID 5129730
1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
CID 170863761
1-[2-(2-propylphenoxy)ethyl]pyrrolidine
CID 173254301
1-[2-(2-octylphenoxy)ethyl]piperidine chloride
CID 21228798
2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 107713118
1-[3-(2-ethylphenoxy)propyl]pyrrolidine
CID 2262767
1-[2-(2-ethoxyphenyl)ethyl]piperidine
CID 21117435
3-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine
CID 170879208
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 20545015
3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 22683982
4-[2-[2-(4-phenylbutyl)phenoxy]ethyl]morpholine
CID 15389030

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine (CID 170866493) is N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine is CN(C)CCCc1ccccc1OCCN1CCCC1.
What is the InChIKey of N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine?
The InChIKey is ZOLYNNVQIWAGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-18(2)11-7-9-16-8-3-4-10-17(16)20-15-14-19-12-5-6-13-19/h3-4,8,10H,5-7,9,11-15H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine?
N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 170866493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).