4-(ethoxymethyl)-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride

C18H29ClN2O2 — CID 120916262

IUPAC4-(ethoxymethyl)-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride
SMILESCCOCc1ccc(NC2CCCC2C2COCCN2)cc1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-2-21-12-14-6-8-15(9-7-14)20-17-5-3-4-16(17)18-13-22-11-10-19-18;/h6-9,16-20H,2-5,10-13H2,1H3;1H
InChIKeyIVGYLRJHUQAYHU-UHFFFAOYSA-N
MW340.90 g/mol
LogP3.21
Rot. Bonds6

About 4-(ethoxymethyl)-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride

4-(ethoxymethyl)-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride (PubChem CID 120916262) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is 4-(ethoxymethyl)-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride.

Molecular Properties

Compound Name4-(ethoxymethyl)-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride
PubChem CID120916262
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC Name4-(ethoxymethyl)-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride
SMILESCCOCc1ccc(NC2CCCC2C2COCCN2)cc1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-2-21-12-14-6-8-15(9-7-14)20-17-5-3-4-16(17)18-13-22-11-10-19-18;/h6-9,16-20H,2-5,10-13H2,1H3;1H
InChIKeyIVGYLRJHUQAYHU-UHFFFAOYSA-N
XLogP3.21
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride?
The IUPAC name of 4-(ethoxymethyl)-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride (CID 120916262) is 4-(ethoxymethyl)-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride.
What is the SMILES notation for 4-(ethoxymethyl)-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride?
The canonical SMILES for 4-(ethoxymethyl)-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride is CCOCc1ccc(NC2CCCC2C2COCCN2)cc1.Cl.
What is the InChIKey of 4-(ethoxymethyl)-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride?
The InChIKey is IVGYLRJHUQAYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-2-21-12-14-6-8-15(9-7-14)20-17-5-3-4-16(17)18-13-22-11-10-19-18;/h6-9,16-20H,2-5,10-13H2,1H3;1H.
What are the key properties of 4-(ethoxymethyl)-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride?
4-(ethoxymethyl)-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-N-(2-morpholin-3-ylcyclopentyl)aniline;hydrochloride is sourced from PubChem (CID 120916262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).