[1-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine

C14H21ClN2O — CID 120773591

IUPAC[1-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(CCOc2cccc(Cl)c2)C1
InChIInChI=1S/C14H21ClN2O/c1-14(10-16)5-6-17(11-14)7-8-18-13-4-2-3-12(15)9-13/h2-4,9H,5-8,10-11,16H2,1H3
InChIKeyHQRGYWMDTKGSCH-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.39
Rot. Bonds5

About [1-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine

[1-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine (PubChem CID 120773591) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is [1-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine
PubChem CID120773591
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name[1-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(CCOc2cccc(Cl)c2)C1
InChIInChI=1S/C14H21ClN2O/c1-14(10-16)5-6-17(11-14)7-8-18-13-4-2-3-12(15)9-13/h2-4,9H,5-8,10-11,16H2,1H3
InChIKeyHQRGYWMDTKGSCH-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-chlorophenoxy)ethyl]acetamide
CID 120771441
3-(3-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine
CID 121418539
[3-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120771836
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(3-chlorophenoxy)ethanone;hydrochloride
CID 120805062
[1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120967322
1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 119923695
1-[2-(3-chlorophenoxy)ethyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126737
[3-methyl-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120772767
1-[2-(3-chlorophenoxy)ethyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137041
[1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidin-4-yl]methanamine
CID 107160736
1-[4-[2-(3-chlorophenoxy)ethyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 63101220
[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771962

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine (CID 120773591) is [1-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine is CC1(CN)CCN(CCOc2cccc(Cl)c2)C1.
What is the InChIKey of [1-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine?
The InChIKey is HQRGYWMDTKGSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-14(10-16)5-6-17(11-14)7-8-18-13-4-2-3-12(15)9-13/h2-4,9H,5-8,10-11,16H2,1H3.
What are the key properties of [1-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine?
[1-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine has a molecular weight of 268.79 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120773591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).