N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylpyrrolidin-3-amine

C15H24N2O — CID 63297878

IUPACN-[1-(4-methoxyphenyl)propan-2-yl]-N-methylpyrrolidin-3-amine
SMILESCOc1ccc(CC(C)N(C)C2CCNC2)cc1
InChIInChI=1S/C15H24N2O/c1-12(17(2)14-8-9-16-11-14)10-13-4-6-15(18-3)7-5-13/h4-7,12,14,16H,8-11H2,1-3H3
InChIKeyGFUBZGWVDIITRH-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.92
Rot. Bonds5

About N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylpyrrolidin-3-amine

N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylpyrrolidin-3-amine (PubChem CID 63297878) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propan-2-yl]-N-methylpyrrolidin-3-amine
PubChem CID63297878
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[1-(4-methoxyphenyl)propan-2-yl]-N-methylpyrrolidin-3-amine
SMILESCOc1ccc(CC(C)N(C)C2CCNC2)cc1
InChIInChI=1S/C15H24N2O/c1-12(17(2)14-8-9-16-11-14)10-13-4-6-15(18-3)7-5-13/h4-7,12,14,16H,8-11H2,1-3H3
InChIKeyGFUBZGWVDIITRH-UHFFFAOYSA-N
XLogP1.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)propan-2-yl]-N-methylpyrrolidin-3-amine
CID 114794765
N-[4-(4-methoxyphenyl)butan-2-yl]-N-propylpyrrolidin-3-amine
CID 63300831
N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 119709145
3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60806501
4-[2-[azetidin-3-yl(methyl)amino]propyl]phenol
CID 115496116
N-methyl-N-(1-phenylbutan-2-yl)pyrrolidin-3-amine
CID 79008172
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60807367
N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913713
2-(4-methoxyphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532521
N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-3-amine
CID 63642664
2-[methyl(pyrrolidin-3-yl)amino]propan-1-ol
CID 104556943
N-ethyl-N-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-amine
CID 63300307

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylpyrrolidin-3-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylpyrrolidin-3-amine (CID 63297878) is N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylpyrrolidin-3-amine is COc1ccc(CC(C)N(C)C2CCNC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylpyrrolidin-3-amine?
The InChIKey is GFUBZGWVDIITRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(17(2)14-8-9-16-11-14)10-13-4-6-15(18-3)7-5-13/h4-7,12,14,16H,8-11H2,1-3H3.
What are the key properties of N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylpyrrolidin-3-amine?
N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylpyrrolidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 63297878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).