N-[(4-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine

C15H24N2O — CID 61418183

IUPACN-[(4-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine
SMILESCOc1ccc(CN(C)CCC2CCCN2)cc1
InChIInChI=1S/C15H24N2O/c1-17(11-9-14-4-3-10-16-14)12-13-5-7-15(18-2)8-6-13/h5-8,14,16H,3-4,9-12H2,1-2H3
InChIKeyRHBMJJMOLOTQOT-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.27
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine

N-[(4-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine (PubChem CID 61418183) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine
PubChem CID61418183
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine
SMILESCOc1ccc(CN(C)CCC2CCCN2)cc1
InChIInChI=1S/C15H24N2O/c1-17(11-9-14-4-3-10-16-14)12-13-5-7-15(18-2)8-6-13/h5-8,14,16H,3-4,9-12H2,1-2H3
InChIKeyRHBMJJMOLOTQOT-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine
CID 115210378
N-methyl-N-(naphthalen-2-ylmethyl)-2-pyrrolidin-2-ylethanamine
CID 115210395
N-[(4-methoxyphenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide
CID 62211595
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61363682
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119692035
2-[3-(4-methoxyphenyl)propyl]piperidine
CID 65446310
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654
N-[(4-bromophenyl)methyl]-N-methyl-3-piperidin-2-ylpropan-1-amine
CID 55047549
2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine
CID 56830572
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 61412988
2-(4-methoxyphenyl)-N-methyl-N-(piperidin-2-ylmethyl)acetamide
CID 106627189
N-cycloheptyl-N'-[(4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62575486

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine (CID 61418183) is N-[(4-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine is COc1ccc(CN(C)CCC2CCCN2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine?
The InChIKey is RHBMJJMOLOTQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17(11-9-14-4-3-10-16-14)12-13-5-7-15(18-2)8-6-13/h5-8,14,16H,3-4,9-12H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine?
N-[(4-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine is sourced from PubChem (CID 61418183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).