2-[(3R,4R)-3-ethoxy-4-methoxypyrrolidin-1-yl]ethanamine

C9H20N2O2 — CID 129498587

IUPAC2-[(3R,4R)-3-ethoxy-4-methoxypyrrolidin-1-yl]ethanamine
SMILESCCO[C@@H]1CN(CCN)C[C@H]1OC
InChIInChI=1S/C9H20N2O2/c1-3-13-9-7-11(5-4-10)6-8(9)12-2/h8-9H,3-7,10H2,1-2H3/t8-,9-/m1/s1
InChIKeyIGEAOKITHAWZRW-RKDXNWHRSA-N
MW188.27 g/mol
LogP-0.32
Rot. Bonds5

About 2-[(3R,4R)-3-ethoxy-4-methoxypyrrolidin-1-yl]ethanamine

2-[(3R,4R)-3-ethoxy-4-methoxypyrrolidin-1-yl]ethanamine (PubChem CID 129498587) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[(3R,4R)-3-ethoxy-4-methoxypyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[(3R,4R)-3-ethoxy-4-methoxypyrrolidin-1-yl]ethanamine
PubChem CID129498587
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-[(3R,4R)-3-ethoxy-4-methoxypyrrolidin-1-yl]ethanamine
SMILESCCO[C@@H]1CN(CCN)C[C@H]1OC
InChIInChI=1S/C9H20N2O2/c1-3-13-9-7-11(5-4-10)6-8(9)12-2/h8-9H,3-7,10H2,1-2H3/t8-,9-/m1/s1
InChIKeyIGEAOKITHAWZRW-RKDXNWHRSA-N
XLogP-0.32
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3R,4R)-3-ethoxy-4-methoxypyrrolidin-1-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diethyl[2-(pyrrolidin-3-yloxy)ethyl]amine
CID 62327223
3-(2-Methoxyethoxy)pyrrolidine hydrochloride
CID 53413900
2-[2-[2-(1-Methylpyrrolidin-1-ium-1-yl)ethoxy]ethoxy]ethanamine;chloride;hydrochloride
CID 11323710
Dimethyl[2-(pyrrolidin-3-yloxy)ethyl]amine
CID 13049041
(3S)-3-(2-ethoxyethoxy)pyrrolidine hydrochloride
CID 71756910
2-{1,4-Dioxa-7-azaspiro[4.4]nonan-7-yl}ethan-1-amine
CID 124251459
3-(2-Methoxyethoxy)pyrrolidine
CID 18337162
(+)-(3s,4s)-3,4-dimethoxy-N-(2-(dimethylamino)ethyl)pyrrolidine
CID 12349499
2-[2-[2-(1-Methylpyrrolidin-1-ium-1-yl)ethoxy]ethoxy]ethanamine
CID 11323711
2-(3,4-Dimethoxypyrrolidin-1-yl)-1,1,1-trifluoropentan-3-amine
CID 103530991
2-(3,4-Dimethoxypyrrolidin-1-yl)-3,3,3-trifluoropropan-1-amine
CID 103531001
3-(3,4-Dimethoxypyrrolidin-1-yl)-4,4,4-trifluorobutan-2-amine
CID 113826853

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3-ethoxy-4-methoxypyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-[(3R,4R)-3-ethoxy-4-methoxypyrrolidin-1-yl]ethanamine (CID 129498587) is 2-[(3R,4R)-3-ethoxy-4-methoxypyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-[(3R,4R)-3-ethoxy-4-methoxypyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-[(3R,4R)-3-ethoxy-4-methoxypyrrolidin-1-yl]ethanamine is CCO[C@@H]1CN(CCN)C[C@H]1OC.
What is the InChIKey of 2-[(3R,4R)-3-ethoxy-4-methoxypyrrolidin-1-yl]ethanamine?
The InChIKey is IGEAOKITHAWZRW-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-3-13-9-7-11(5-4-10)6-8(9)12-2/h8-9H,3-7,10H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of 2-[(3R,4R)-3-ethoxy-4-methoxypyrrolidin-1-yl]ethanamine?
2-[(3R,4R)-3-ethoxy-4-methoxypyrrolidin-1-yl]ethanamine has a molecular weight of 188.27 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3-ethoxy-4-methoxypyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 129498587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).