1-(2,5-difluoro-4-methylphenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine

C16H24F2N2 — CID 106603359

IUPAC1-(2,5-difluoro-4-methylphenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(CC1CCCN1)C(C)c1cc(F)c(C)cc1F
InChIInChI=1S/C16H24F2N2/c1-4-20(10-13-6-5-7-19-13)12(3)14-9-15(17)11(2)8-16(14)18/h8-9,12-13,19H,4-7,10H2,1-3H3
InChIKeyYHXHYYDMXQPDHZ-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.41
Rot. Bonds5

About 1-(2,5-difluoro-4-methylphenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine

1-(2,5-difluoro-4-methylphenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106603359) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methylphenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methylphenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106603359
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(2,5-difluoro-4-methylphenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCCN(CC1CCCN1)C(C)c1cc(F)c(C)cc1F
InChIInChI=1S/C16H24F2N2/c1-4-20(10-13-6-5-7-19-13)12(3)14-9-15(17)11(2)8-16(14)18/h8-9,12-13,19H,4-7,10H2,1-3H3
InChIKeyYHXHYYDMXQPDHZ-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-difluoro-4-methylphenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-2-fluorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622422
1-(2-bromophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603332
N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605238
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623204
N-ethyl-1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106622443
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605738
2-[1-(2,4-dimethylphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606920
N-ethyl-1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622603
N-ethyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603461
1-(1-benzothiophen-2-yl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603496

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106603359) is 1-(2,5-difluoro-4-methylphenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,5-difluoro-4-methylphenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,5-difluoro-4-methylphenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine is CCN(CC1CCCN1)C(C)c1cc(F)c(C)cc1F.
What is the InChIKey of 1-(2,5-difluoro-4-methylphenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is YHXHYYDMXQPDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-4-20(10-13-6-5-7-19-13)12(3)14-9-15(17)11(2)8-16(14)18/h8-9,12-13,19H,4-7,10H2,1-3H3.
What are the key properties of 1-(2,5-difluoro-4-methylphenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine?
1-(2,5-difluoro-4-methylphenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 282.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methylphenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106603359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).