1-[3-ethoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine

C16H26N2O2 — CID 60883395

IUPAC1-[3-ethoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
SMILESCCOc1cccc(CNC)c1OCCN1CCCC1
InChIInChI=1S/C16H26N2O2/c1-3-19-15-8-6-7-14(13-17-2)16(15)20-12-11-18-9-4-5-10-18/h6-8,17H,3-5,9-13H2,1-2H3
InChIKeyARNIAERCIYKJRX-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.28
Rot. Bonds8

About 1-[3-ethoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine

1-[3-ethoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine (PubChem CID 60883395) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[3-ethoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-ethoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
PubChem CID60883395
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[3-ethoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
SMILESCCOc1cccc(CNC)c1OCCN1CCCC1
InChIInChI=1S/C16H26N2O2/c1-3-19-15-8-6-7-14(13-17-2)16(15)20-12-11-18-9-4-5-10-18/h6-8,17H,3-5,9-13H2,1-2H3
InChIKeyARNIAERCIYKJRX-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 61390224
1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine
CID 43213948
[3-ethoxy-2-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 43174640
[3-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanol
CID 82885876
1-[3-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 115952490
4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83173234
2-cyano-N-[[3-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]acetamide
CID 22685929
1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60881141
3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol
CID 114491680
1-[2-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]-N-methylmethanamine
CID 60881702
2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 22680917
1-[3-ethoxy-2-(2-pyridin-3-ylethoxy)phenyl]-N-methylmethanamine
CID 63264581

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-ethoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine (CID 60883395) is 1-[3-ethoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-ethoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-ethoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine is CCOc1cccc(CNC)c1OCCN1CCCC1.
What is the InChIKey of 1-[3-ethoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine?
The InChIKey is ARNIAERCIYKJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-19-15-8-6-7-14(13-17-2)16(15)20-12-11-18-9-4-5-10-18/h6-8,17H,3-5,9-13H2,1-2H3.
What are the key properties of 1-[3-ethoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine?
1-[3-ethoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine has a molecular weight of 278.40 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 60883395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).