N-methyl-N-[3-(3-methylphenoxy)propyl]pyrrolidin-3-amine

C15H24N2O — CID 63301419

IUPACN-methyl-N-[3-(3-methylphenoxy)propyl]pyrrolidin-3-amine
SMILESCc1cccc(OCCCN(C)C2CCNC2)c1
InChIInChI=1S/C15H24N2O/c1-13-5-3-6-15(11-13)18-10-4-9-17(2)14-7-8-16-12-14/h3,5-6,11,14,16H,4,7-10,12H2,1-2H3
InChIKeyDVZJATYDPYQZPP-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.06
Rot. Bonds6

About N-methyl-N-[3-(3-methylphenoxy)propyl]pyrrolidin-3-amine

N-methyl-N-[3-(3-methylphenoxy)propyl]pyrrolidin-3-amine (PubChem CID 63301419) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-methyl-N-[3-(3-methylphenoxy)propyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[3-(3-methylphenoxy)propyl]pyrrolidin-3-amine
PubChem CID63301419
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-methyl-N-[3-(3-methylphenoxy)propyl]pyrrolidin-3-amine
SMILESCc1cccc(OCCCN(C)C2CCNC2)c1
InChIInChI=1S/C15H24N2O/c1-13-5-3-6-15(11-13)18-10-4-9-17(2)14-7-8-16-12-14/h3,5-6,11,14,16H,4,7-10,12H2,1-2H3
InChIKeyDVZJATYDPYQZPP-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119922769
N-[3-(3-methylphenoxy)propyl]-N-propylpiperidin-4-amine
CID 60806318
3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 60807030
N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide
CID 119442665
5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide
CID 119451072
N-[2-(3-methylphenoxy)ethyl]-N-propylazetidin-3-amine
CID 66214496
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-piperidin-3-ylacetamide
CID 62675082
2-[2-(3-methylphenoxy)ethyl-piperidin-4-ylamino]acetamide
CID 60802291
N-[3-(3,4-dimethylphenoxy)propyl]-N-ethylpyrrolidin-3-amine
CID 63299801
N-[(3-propoxyphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300619
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
2-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119529832

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(3-methylphenoxy)propyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-N-[3-(3-methylphenoxy)propyl]pyrrolidin-3-amine (CID 63301419) is N-methyl-N-[3-(3-methylphenoxy)propyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-N-[3-(3-methylphenoxy)propyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-N-[3-(3-methylphenoxy)propyl]pyrrolidin-3-amine is Cc1cccc(OCCCN(C)C2CCNC2)c1.
What is the InChIKey of N-methyl-N-[3-(3-methylphenoxy)propyl]pyrrolidin-3-amine?
The InChIKey is DVZJATYDPYQZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13-5-3-6-15(11-13)18-10-4-9-17(2)14-7-8-16-12-14/h3,5-6,11,14,16H,4,7-10,12H2,1-2H3.
What are the key properties of N-methyl-N-[3-(3-methylphenoxy)propyl]pyrrolidin-3-amine?
N-methyl-N-[3-(3-methylphenoxy)propyl]pyrrolidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(3-methylphenoxy)propyl]pyrrolidin-3-amine is sourced from PubChem (CID 63301419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).