N-[1-(3,4-dimethylphenyl)ethyl]-1-methylpyrrolidin-3-amine

C15H24N2 — CID 54949868

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
SMILESCc1ccc(C(C)NC2CCN(C)C2)cc1C
InChIInChI=1S/C15H24N2/c1-11-5-6-14(9-12(11)2)13(3)16-15-7-8-17(4)10-15/h5-6,9,13,15-16H,7-8,10H2,1-4H3
InChIKeyOGPCRIOIVKIGLK-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.66
Rot. Bonds3

About N-[1-(3,4-dimethylphenyl)ethyl]-1-methylpyrrolidin-3-amine

N-[1-(3,4-dimethylphenyl)ethyl]-1-methylpyrrolidin-3-amine (PubChem CID 54949868) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
PubChem CID54949868
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
SMILESCc1ccc(C(C)NC2CCN(C)C2)cc1C
InChIInChI=1S/C15H24N2/c1-11-5-6-14(9-12(11)2)13(3)16-15-7-8-17(4)10-15/h5-6,9,13,15-16H,7-8,10H2,1-4H3
InChIKeyOGPCRIOIVKIGLK-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 61461431
N-[1-(3,4-dimethylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206708
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81352092
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 82994281
(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine
CID 134939795
tert-butyl 3-[1-(3,4-dimethylphenyl)ethylamino]pyrrolidine-1-carboxylate
CID 107239352
1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]pyrrolidin-3-amine
CID 61462428
N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949814
N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949870
1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628
1-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 61461637
2-methoxy-4-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenol
CID 43373375

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-1-methylpyrrolidin-3-amine (CID 54949868) is N-[1-(3,4-dimethylphenyl)ethyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-1-methylpyrrolidin-3-amine is Cc1ccc(C(C)NC2CCN(C)C2)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-1-methylpyrrolidin-3-amine?
The InChIKey is OGPCRIOIVKIGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-5-6-14(9-12(11)2)13(3)16-15-7-8-17(4)10-15/h5-6,9,13,15-16H,7-8,10H2,1-4H3.
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-1-methylpyrrolidin-3-amine?
N-[1-(3,4-dimethylphenyl)ethyl]-1-methylpyrrolidin-3-amine has a molecular weight of 232.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 54949868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).