N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidin-3-amine

C14H23N3O — CID 79731504

IUPACN-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidin-3-amine
SMILESCN(C)CCOc1cccc(NC2CCNC2)c1
InChIInChI=1S/C14H23N3O/c1-17(2)8-9-18-14-5-3-4-12(10-14)16-13-6-7-15-11-13/h3-5,10,13,15-16H,6-9,11H2,1-2H3
InChIKeyBXXVKEAEOTYRJY-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.40
Rot. Bonds6

About N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidin-3-amine

N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidin-3-amine (PubChem CID 79731504) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidin-3-amine
PubChem CID79731504
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidin-3-amine
SMILESCN(C)CCOc1cccc(NC2CCNC2)c1
InChIInChI=1S/C14H23N3O/c1-17(2)8-9-18-14-5-3-4-12(10-14)16-13-6-7-15-11-13/h3-5,10,13,15-16H,6-9,11H2,1-2H3
InChIKeyBXXVKEAEOTYRJY-UHFFFAOYSA-N
XLogP1.40
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidin-3-amine?
The IUPAC name of N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidin-3-amine (CID 79731504) is N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidin-3-amine?
The canonical SMILES for N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidin-3-amine is CN(C)CCOc1cccc(NC2CCNC2)c1.
What is the InChIKey of N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidin-3-amine?
The InChIKey is BXXVKEAEOTYRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-17(2)8-9-18-14-5-3-4-12(10-14)16-13-6-7-15-11-13/h3-5,10,13,15-16H,6-9,11H2,1-2H3.
What are the key properties of N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidin-3-amine?
N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidin-3-amine has a molecular weight of 249.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 79731504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).