N-[(2-ethylphenyl)methyl]-1,5-dimethylpyrrolidin-3-amine

C15H24N2 — CID 81338197

IUPACN-[(2-ethylphenyl)methyl]-1,5-dimethylpyrrolidin-3-amine
SMILESCCc1ccccc1CNC1CC(C)N(C)C1
InChIInChI=1S/C15H24N2/c1-4-13-7-5-6-8-14(13)10-16-15-9-12(2)17(3)11-15/h5-8,12,15-16H,4,9-11H2,1-3H3
InChIKeyHMCIRSVQQZQGQU-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.43
Rot. Bonds4

About N-[(2-ethylphenyl)methyl]-1,5-dimethylpyrrolidin-3-amine

N-[(2-ethylphenyl)methyl]-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81338197) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-1,5-dimethylpyrrolidin-3-amine
PubChem CID81338197
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[(2-ethylphenyl)methyl]-1,5-dimethylpyrrolidin-3-amine
SMILESCCc1ccccc1CNC1CC(C)N(C)C1
InChIInChI=1S/C15H24N2/c1-4-13-7-5-6-8-14(13)10-16-15-9-12(2)17(3)11-15/h5-8,12,15-16H,4,9-11H2,1-3H3
InChIKeyHMCIRSVQQZQGQU-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(methoxymethyl)phenyl]methyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301779
1,5-dimethyl-N-[2-(2-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81301413
N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dimethylpiperidin-4-amine
CID 81300764
[4-[[(1,5-dimethylpyrrolidin-3-yl)amino]methyl]phenyl]methanol
CID 107230022
1,2-dimethyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
CID 79032126
1,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidin-3-amine
CID 115726418
N-benzyl-2-[(1,5-dimethylpyrrolidin-3-yl)amino]acetamide
CID 81333096
N-[(2-ethylphenyl)methyl]-2-methyloxan-4-amine
CID 64681355
4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-diamine
CID 55067066
1-cyclopropyl-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyrrolidin-3-amine
CID 115708354
N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrrolidin-3-amine
CID 81300420
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,5-dimethylpyrrolidin-3-amine
CID 115724910

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-1,5-dimethylpyrrolidin-3-amine (CID 81338197) is N-[(2-ethylphenyl)methyl]-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-1,5-dimethylpyrrolidin-3-amine is CCc1ccccc1CNC1CC(C)N(C)C1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is HMCIRSVQQZQGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-4-13-7-5-6-8-14(13)10-16-15-9-12(2)17(3)11-15/h5-8,12,15-16H,4,9-11H2,1-3H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-1,5-dimethylpyrrolidin-3-amine?
N-[(2-ethylphenyl)methyl]-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 232.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81338197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).