[3-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride

C16H27ClN2O2 — CID 120771836

IUPAC[3-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1(CN)CCN(CCOCCOc2ccccc2)C1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-16(13-17)7-8-18(14-16)9-10-19-11-12-20-15-5-3-2-4-6-15;/h2-6H,7-14,17H2,1H3;1H
InChIKeyQGLMZTPMNRLXBK-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.17
Rot. Bonds8

About [3-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride

[3-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120771836) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is [3-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120771836
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name[3-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1(CN)CCN(CCOCCOc2ccccc2)C1.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-16(13-17)7-8-18(14-16)9-10-19-11-12-20-15-5-3-2-4-6-15;/h2-6H,7-14,17H2,1H3;1H
InChIKeyQGLMZTPMNRLXBK-UHFFFAOYSA-N
XLogP2.17
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [3-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-3-yl]methanamine;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-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120773591
N-methyl-1-[3-methyl-1-(3-phenoxypropyl)pyrrolidin-3-yl]methanamine
CID 106318811
[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidin-4-yl]methanamine
CID 107160736
4-(aminomethyl)-1-(2-phenoxyethyl)piperidin-4-ol
CID 95461531
[3-methyl-1-(2-naphthalen-2-ylethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 120772336
[1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidin-4-yl]methanamine
CID 107160604
4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine
CID 153398685
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-methyl-4-phenoxybutan-1-one
CID 120808139
[1-[4-(2-ethoxyethoxy)phenyl]sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777119
[4-methyl-1-(2-propoxyethyl)piperidin-4-yl]methanamine
CID 107160532
2-[[(3S)-3-methyl-1-(3-phenoxypropyl)pyrrolidin-3-yl]amino]acetic acid
CID 129324019
[1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780821

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [3-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride (CID 120771836) is [3-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [3-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride is CC1(CN)CCN(CCOCCOc2ccccc2)C1.Cl.
What is the InChIKey of [3-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is QGLMZTPMNRLXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-16(13-17)7-8-18(14-16)9-10-19-11-12-20-15-5-3-2-4-6-15;/h2-6H,7-14,17H2,1H3;1H.
What are the key properties of [3-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride?
[3-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120771836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).