4-[[(3-ethoxy-4-propoxyphenyl)methylamino]methyl]pyrrolidin-3-ol

C17H28N2O3 — CID 120963111

IUPAC4-[[(3-ethoxy-4-propoxyphenyl)methylamino]methyl]pyrrolidin-3-ol
SMILESCCCOc1ccc(CNCC2CNCC2O)cc1OCC
InChIInChI=1S/C17H28N2O3/c1-3-7-22-16-6-5-13(8-17(16)21-4-2)9-18-10-14-11-19-12-15(14)20/h5-6,8,14-15,18-20H,3-4,7,9-12H2,1-2H3
InChIKeySSLLESTXNNEWQM-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.54
Rot. Bonds9

About 4-[[(3-ethoxy-4-propoxyphenyl)methylamino]methyl]pyrrolidin-3-ol

4-[[(3-ethoxy-4-propoxyphenyl)methylamino]methyl]pyrrolidin-3-ol (PubChem CID 120963111) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 4-[[(3-ethoxy-4-propoxyphenyl)methylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[[(3-ethoxy-4-propoxyphenyl)methylamino]methyl]pyrrolidin-3-ol
PubChem CID120963111
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name4-[[(3-ethoxy-4-propoxyphenyl)methylamino]methyl]pyrrolidin-3-ol
SMILESCCCOc1ccc(CNCC2CNCC2O)cc1OCC
InChIInChI=1S/C17H28N2O3/c1-3-7-22-16-6-5-13(8-17(16)21-4-2)9-18-10-14-11-19-12-15(14)20/h5-6,8,14-15,18-20H,3-4,7,9-12H2,1-2H3
InChIKeySSLLESTXNNEWQM-UHFFFAOYSA-N
XLogP1.54
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[(3-ethoxy-4-propoxyphenyl)methylamino]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

4-[[(3-methoxy-4-propoxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962016
4-[[(3-ethoxy-4-phenylmethoxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962652
2-[2-ethoxy-4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]phenoxy]-1-piperidin-1-ylethanone
CID 120962275
2-[2-ethoxy-4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]phenoxy]-1-piperidin-1-ylethanone;hydrochloride
CID 120962274
4-[[(4-methoxy-3-phenylmethoxyphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962110
N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 2104080
N-[(3-ethoxy-4-propoxyphenyl)methyl]-2-methylpropan-1-amine
CID 29227521
4-[[(2-ethoxy-5-nitrophenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120961729
4-[[(3-ethoxy-4-propoxyphenyl)methylamino]methyl]benzoic acid
CID 29227556
4-[[(6-methoxynaphthalen-2-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962307
2-[2-[(3-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol
CID 29227627
4-[[(4-chloro-3-methylphenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120962643

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethoxy-4-propoxyphenyl)methylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 4-[[(3-ethoxy-4-propoxyphenyl)methylamino]methyl]pyrrolidin-3-ol (CID 120963111) is 4-[[(3-ethoxy-4-propoxyphenyl)methylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[[(3-ethoxy-4-propoxyphenyl)methylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[[(3-ethoxy-4-propoxyphenyl)methylamino]methyl]pyrrolidin-3-ol is CCCOc1ccc(CNCC2CNCC2O)cc1OCC.
What is the InChIKey of 4-[[(3-ethoxy-4-propoxyphenyl)methylamino]methyl]pyrrolidin-3-ol?
The InChIKey is SSLLESTXNNEWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-3-7-22-16-6-5-13(8-17(16)21-4-2)9-18-10-14-11-19-12-15(14)20/h5-6,8,14-15,18-20H,3-4,7,9-12H2,1-2H3.
What are the key properties of 4-[[(3-ethoxy-4-propoxyphenyl)methylamino]methyl]pyrrolidin-3-ol?
4-[[(3-ethoxy-4-propoxyphenyl)methylamino]methyl]pyrrolidin-3-ol has a molecular weight of 308.42 g/mol, XLogP of 1.54, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethoxy-4-propoxyphenyl)methylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 120963111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).