1-[1-[2-(3-chlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine

C14H21ClN2O — CID 81490255

IUPAC1-[1-[2-(3-chlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1CCOc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-16-11-13-5-3-7-17(13)8-9-18-14-6-2-4-12(15)10-14/h2,4,6,10,13,16H,3,5,7-9,11H2,1H3
InChIKeyHGTTXFARCRQWMR-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.40
Rot. Bonds6

About 1-[1-[2-(3-chlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine

1-[1-[2-(3-chlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 81490255) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[1-[2-(3-chlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(3-chlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
PubChem CID81490255
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name1-[1-[2-(3-chlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1CCOc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-16-11-13-5-3-7-17(13)8-9-18-14-6-2-4-12(15)10-14/h2,4,6,10,13,16H,3,5,7-9,11H2,1H3
InChIKeyHGTTXFARCRQWMR-UHFFFAOYSA-N
XLogP2.40
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-(2-phenoxyethyl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 119928558
1-[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928392
N-methyl-1-[1-[3-(3-methylphenoxy)propyl]piperidin-2-yl]methanamine
CID 63250259
1-[1-[2-(4-bromophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 54986156
(2S)-1-[2-(3-chlorophenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 167816033
1-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 119923695
2-(3-chlorophenoxy)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119650053
2-methyl-N-[[1-(2-phenoxyethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62580601
1-[2-(3-chlorophenoxy)ethyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119926778
1-[3-(3-chlorophenoxy)propyl]piperidin-3-ol
CID 110908224
[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]methanamine;hydrochloride
CID 119915967
2-(3-chlorophenoxy)-1-[2-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 63249461

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-chlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(3-chlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine (CID 81490255) is 1-[1-[2-(3-chlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(3-chlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(3-chlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine is CNCC1CCCN1CCOc1cccc(Cl)c1.
What is the InChIKey of 1-[1-[2-(3-chlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is HGTTXFARCRQWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-16-11-13-5-3-7-17(13)8-9-18-14-6-2-4-12(15)10-14/h2,4,6,10,13,16H,3,5,7-9,11H2,1H3.
What are the key properties of 1-[1-[2-(3-chlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine?
1-[1-[2-(3-chlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 268.79 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-chlorophenoxy)ethyl]pyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 81490255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).