N-[1-(2,4-dimethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine

C17H28N2 — CID 79541870

IUPACN-[1-(2,4-dimethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
SMILESCc1ccc(C(C)NC(C)CC2CCCN2)c(C)c1
InChIInChI=1S/C17H28N2/c1-12-7-8-17(13(2)10-12)15(4)19-14(3)11-16-6-5-9-18-16/h7-8,10,14-16,18-19H,5-6,9,11H2,1-4H3
InChIKeyZMFXGLZAXJSVFX-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.48
Rot. Bonds5

About N-[1-(2,4-dimethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine

N-[1-(2,4-dimethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine (PubChem CID 79541870) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
PubChem CID79541870
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[1-(2,4-dimethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
SMILESCc1ccc(C(C)NC(C)CC2CCCN2)c(C)c1
InChIInChI=1S/C17H28N2/c1-12-7-8-17(13(2)10-12)15(4)19-14(3)11-16-6-5-9-18-16/h7-8,10,14-16,18-19H,5-6,9,11H2,1-4H3
InChIKeyZMFXGLZAXJSVFX-UHFFFAOYSA-N
XLogP3.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-2-yl)-N-[(1R)-1-(2-methylphenyl)ethyl]propan-2-amine
CID 81373374
1-(azepan-2-yl)-N-[1-(2-methylphenyl)ethyl]propan-2-amine
CID 79553763
1-(azepan-2-yl)-N-[1-(4-methylphenyl)ethyl]propan-2-amine
CID 79560959
N-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541521
1-(azepan-2-yl)-N-[1-(2,5-dimethylfuran-3-yl)ethyl]propan-2-amine
CID 79559973
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81352833
N-[1-(4-ethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541259
1-(azepan-2-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-2-amine
CID 81379842
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79538021
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81371157
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 81348101
N-[1-(3-propan-2-yloxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79537731

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
The IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine (CID 79541870) is N-[1-(2,4-dimethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine is Cc1ccc(C(C)NC(C)CC2CCCN2)c(C)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
The InChIKey is ZMFXGLZAXJSVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12-7-8-17(13(2)10-12)15(4)19-14(3)11-16-6-5-9-18-16/h7-8,10,14-16,18-19H,5-6,9,11H2,1-4H3.
What are the key properties of N-[1-(2,4-dimethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine?
N-[1-(2,4-dimethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine has a molecular weight of 260.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine is sourced from PubChem (CID 79541870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).