2-(4-methoxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine

C16H26N2O — CID 10587586

IUPAC2-(4-methoxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
SMILESCOc1ccc(CCN(C)CCN2CCCC2)cc1
InChIInChI=1S/C16H26N2O/c1-17(13-14-18-10-3-4-11-18)12-9-15-5-7-16(19-2)8-6-15/h5-8H,3-4,9-14H2,1-2H3
InChIKeyBLHGDZZNMYJMFC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.27
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine

2-(4-methoxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine (PubChem CID 10587586) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
PubChem CID10587586
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(4-methoxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine
SMILESCOc1ccc(CCN(C)CCN2CCCC2)cc1
InChIInChI=1S/C16H26N2O/c1-17(13-14-18-10-3-4-11-18)12-9-15-5-7-16(19-2)8-6-15/h5-8H,3-4,9-14H2,1-2H3
InChIKeyBLHGDZZNMYJMFC-UHFFFAOYSA-N
XLogP2.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine (CID 10587586) is 2-(4-methoxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine is COc1ccc(CCN(C)CCN2CCCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The InChIKey is BLHGDZZNMYJMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-17(13-14-18-10-3-4-11-18)12-9-15-5-7-16(19-2)8-6-15/h5-8H,3-4,9-14H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine?
2-(4-methoxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)ethanamine is sourced from PubChem (CID 10587586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).