N,N-dimethyl-1-(4-methylphenyl)-2-pyrrolidin-3-ylethanamine

C15H24N2 — CID 116906713

IUPACN,N-dimethyl-1-(4-methylphenyl)-2-pyrrolidin-3-ylethanamine
SMILESCc1ccc(C(CC2CCNC2)N(C)C)cc1
InChIInChI=1S/C15H24N2/c1-12-4-6-14(7-5-12)15(17(2)3)10-13-8-9-16-11-13/h4-7,13,15-16H,8-11H2,1-3H3
InChIKeyKWJJZNHYUVZXBU-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.60
Rot. Bonds4

About N,N-dimethyl-1-(4-methylphenyl)-2-pyrrolidin-3-ylethanamine

N,N-dimethyl-1-(4-methylphenyl)-2-pyrrolidin-3-ylethanamine (PubChem CID 116906713) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methylphenyl)-2-pyrrolidin-3-ylethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methylphenyl)-2-pyrrolidin-3-ylethanamine
PubChem CID116906713
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN,N-dimethyl-1-(4-methylphenyl)-2-pyrrolidin-3-ylethanamine
SMILESCc1ccc(C(CC2CCNC2)N(C)C)cc1
InChIInChI=1S/C15H24N2/c1-12-4-6-14(7-5-12)15(17(2)3)10-13-8-9-16-11-13/h4-7,13,15-16H,8-11H2,1-3H3
InChIKeyKWJJZNHYUVZXBU-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-methylphenyl)propyl]pyrrolidine
CID 83908593
1-(4-fluorophenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906832
1-(4-methoxy-3-methylphenyl)-N,N-dimethyl-2-pyrrolidin-3-ylethanamine
CID 116906723
N,N-dimethyl-1-phenyl-2-piperidin-4-ylethanamine
CID 116906872
1-(4-methoxyphenyl)-N,N-dimethyl-2-piperidin-3-ylethanamine
CID 116906835
1-(2,5-dimethylphenyl)-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906876
N-methyl-1-(4-methylphenyl)-2-piperidin-3-ylethanamine
CID 116951716
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119859494
4-[2-fluoro-2-(4-methylphenyl)ethyl]piperidine
CID 105478233
N-methyl-1-(4-methylphenyl)-2-piperidin-4-ylethanamine
CID 116951785
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81349453
(1R)-1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 81349439

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methylphenyl)-2-pyrrolidin-3-ylethanamine?
The IUPAC name of N,N-dimethyl-1-(4-methylphenyl)-2-pyrrolidin-3-ylethanamine (CID 116906713) is N,N-dimethyl-1-(4-methylphenyl)-2-pyrrolidin-3-ylethanamine.
What is the SMILES notation for N,N-dimethyl-1-(4-methylphenyl)-2-pyrrolidin-3-ylethanamine?
The canonical SMILES for N,N-dimethyl-1-(4-methylphenyl)-2-pyrrolidin-3-ylethanamine is Cc1ccc(C(CC2CCNC2)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-1-(4-methylphenyl)-2-pyrrolidin-3-ylethanamine?
The InChIKey is KWJJZNHYUVZXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-4-6-14(7-5-12)15(17(2)3)10-13-8-9-16-11-13/h4-7,13,15-16H,8-11H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(4-methylphenyl)-2-pyrrolidin-3-ylethanamine?
N,N-dimethyl-1-(4-methylphenyl)-2-pyrrolidin-3-ylethanamine has a molecular weight of 232.37 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-methylphenyl)-2-pyrrolidin-3-ylethanamine is sourced from PubChem (CID 116906713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).