N-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-amine

C13H20N2O — CID 118993498

IUPACN-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-amine
SMILESCOc1ccc(CCNC2CCCN2)cc1
InChIInChI=1S/C13H20N2O/c1-16-12-6-4-11(5-7-12)8-10-15-13-3-2-9-14-13/h4-7,13-15H,2-3,8-10H2,1H3
InChIKeyKUSDROLBCNDWLR-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.54
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-amine

N-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-amine (PubChem CID 118993498) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-amine
PubChem CID118993498
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-amine
SMILESCOc1ccc(CCNC2CCCN2)cc1
InChIInChI=1S/C13H20N2O/c1-16-12-6-4-11(5-7-12)8-10-15-13-3-2-9-14-13/h4-7,13-15H,2-3,8-10H2,1H3
InChIKeyKUSDROLBCNDWLR-UHFFFAOYSA-N
XLogP1.54
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-amine (CID 118993498) is N-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-amine is COc1ccc(CCNC2CCCN2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-amine?
The InChIKey is KUSDROLBCNDWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-12-6-4-11(5-7-12)8-10-15-13-3-2-9-14-13/h4-7,13-15H,2-3,8-10H2,1H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-amine?
N-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-amine has a molecular weight of 220.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-amine is sourced from PubChem (CID 118993498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).