2-(4-chlorophenoxy)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine

C15H23ClN2O — CID 120897491

IUPAC2-(4-chlorophenoxy)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine
SMILESCN(CCOc1ccc(Cl)cc1)CC1(C)CCNC1
InChIInChI=1S/C15H23ClN2O/c1-15(7-8-17-11-15)12-18(2)9-10-19-14-5-3-13(16)4-6-14/h3-6,17H,7-12H2,1-2H3
InChIKeyZVVMGMISLHJOEZ-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.65
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine

2-(4-chlorophenoxy)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine (PubChem CID 120897491) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine
PubChem CID120897491
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-(4-chlorophenoxy)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine
SMILESCN(CCOc1ccc(Cl)cc1)CC1(C)CCNC1
InChIInChI=1S/C15H23ClN2O/c1-15(7-8-17-11-15)12-18(2)9-10-19-14-5-3-13(16)4-6-14/h3-6,17H,7-12H2,1-2H3
InChIKeyZVVMGMISLHJOEZ-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine
CID 63143278
1-(4-chlorophenyl)-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]methanamine
CID 55165098
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63143016
N,N,N'-trimethyl-N'-[(3-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63701115
1-(4-chlorophenyl)-2-methoxy-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride
CID 120904450
1-(4-chlorophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride
CID 120900789
3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2575624
N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119683709
3-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 9460374
2-(4-bromophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride
CID 120899800
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120897419
1-(2-ethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 120898323

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine?
The IUPAC name of 2-(4-chlorophenoxy)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine (CID 120897491) is 2-(4-chlorophenoxy)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-chlorophenoxy)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine is CN(CCOc1ccc(Cl)cc1)CC1(C)CCNC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine?
The InChIKey is ZVVMGMISLHJOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-15(7-8-17-11-15)12-18(2)9-10-19-14-5-3-13(16)4-6-14/h3-6,17H,7-12H2,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine?
2-(4-chlorophenoxy)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine has a molecular weight of 282.81 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine is sourced from PubChem (CID 120897491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).