(3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride

C14H23ClN2O2 — CID 119933726

IUPAC(3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
SMILESCCOc1ccc(OCCN2CC[C@H](N)C2)cc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-2-17-13-3-5-14(6-4-13)18-10-9-16-8-7-12(15)11-16;/h3-6,12H,2,7-11,15H2,1H3;1H/t12-;/m0./s1
InChIKeyLLNJBYULTSCVIF-YDALLXLXSA-N
MW286.80 g/mol
LogP1.92
Rot. Bonds6

About (3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride

(3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 119933726) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is (3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
PubChem CID119933726
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name(3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
SMILESCCOc1ccc(OCCN2CC[C@H](N)C2)cc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-2-17-13-3-5-14(6-4-13)18-10-9-16-8-7-12(15)11-16;/h3-6,12H,2,7-11,15H2,1H3;1H/t12-;/m0./s1
InChIKeyLLNJBYULTSCVIF-YDALLXLXSA-N
XLogP1.92
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride 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

[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915656
(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 68965269
(3S)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 94339773
1-[2-(4-propoxyphenoxy)ethyl]piperidin-4-amine
CID 43556436
[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 62063950
4-[3-(3-aminopyrrolidin-1-yl)propoxy]benzonitrile
CID 67132046
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
1-(4-ethoxyphenyl)pyrrolidin-3-amine
CID 43314939
1-[2-(4-ethoxyphenoxy)ethyl]-3-methylpiperazine
CID 65448827
1-[2-(4-ethoxyphenoxy)ethyl]-4-methylpyrrolidin-3-amine
CID 103576954
N-methyl-1-[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119921928
1-[4-[3-[(3R)-3-aminopyrrolidin-1-yl]propoxy]phenyl]propan-1-one;1-(4-hydroxyphenyl)propan-1-one
CID 161420782

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride (CID 119933726) is (3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride is CCOc1ccc(OCCN2CC[C@H](N)C2)cc1.Cl.
What is the InChIKey of (3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is LLNJBYULTSCVIF-YDALLXLXSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-2-17-13-3-5-14(6-4-13)18-10-9-16-8-7-12(15)11-16;/h3-6,12H,2,7-11,15H2,1H3;1H/t12-;/m0./s1.
What are the key properties of (3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride?
(3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119933726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).