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

C15H24N2 — CID 54949870

IUPACN-[1-(4-ethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
SMILESCCc1ccc(C(C)NC2CCN(C)C2)cc1
InChIInChI=1S/C15H24N2/c1-4-13-5-7-14(8-6-13)12(2)16-15-9-10-17(3)11-15/h5-8,12,15-16H,4,9-11H2,1-3H3
InChIKeyLBXUTTLJADFETH-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.60
Rot. Bonds4

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

N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrolidin-3-amine (PubChem CID 54949870) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
PubChem CID54949870
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
SMILESCCc1ccc(C(C)NC2CCN(C)C2)cc1
InChIInChI=1S/C15H24N2/c1-4-13-5-7-14(8-6-13)12(2)16-15-9-10-17(3)11-15/h5-8,12,15-16H,4,9-11H2,1-3H3
InChIKeyLBXUTTLJADFETH-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

1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 61461431
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81352092
(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine
CID 134939795
1-cyclopropyl-N-[1-(4-ethylphenyl)ethyl]piperidin-4-amine
CID 43747046
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-butylphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43373316
N-[1-(3,4-dimethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949868
1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628
N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43181057
(3S)-N-[(1R)-1-(4-ethylphenyl)ethyl]oxolan-3-amine
CID 95379352
(3R)-N-[(1S)-1-(4-ethylphenyl)ethyl]oxolan-3-amine
CID 95379351

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrolidin-3-amine (CID 54949870) is N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrolidin-3-amine is CCc1ccc(C(C)NC2CCN(C)C2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrolidin-3-amine?
The InChIKey is LBXUTTLJADFETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-4-13-5-7-14(8-6-13)12(2)16-15-9-10-17(3)11-15/h5-8,12,15-16H,4,9-11H2,1-3H3.
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrolidin-3-amine?
N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrolidin-3-amine 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-[1-(4-ethylphenyl)ethyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 54949870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).