N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine

C14H20F2N2O — CID 56783533

IUPACN-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCN1CCC(NCc2ccc(F)cc2F)C1
InChIInChI=1S/C14H20F2N2O/c1-19-7-6-18-5-4-13(10-18)17-9-11-2-3-12(15)8-14(11)16/h2-3,8,13,17H,4-7,9-10H2,1H3
InChIKeyFMRYCOFGGQWVIV-UHFFFAOYSA-N
MW270.32 g/mol
LogP1.78
Rot. Bonds6

About N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine

N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine (PubChem CID 56783533) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine
PubChem CID56783533
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCN1CCC(NCc2ccc(F)cc2F)C1
InChIInChI=1S/C14H20F2N2O/c1-19-7-6-18-5-4-13(10-18)17-9-11-2-3-12(15)8-14(11)16/h2-3,8,13,17H,4-7,9-10H2,1H3
InChIKeyFMRYCOFGGQWVIV-UHFFFAOYSA-N
XLogP1.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine 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-benzyl-N-methylpyrrolidin-3-amine
CID 13787478
2-(4-Fluorophenyl)-2-(morpholin-4-yl)ethan-1-amine
CID 4352885
3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 54765676
2-(Morpholin-4-yl)-2-phenylethan-1-amine
CID 3158583
N-[(2-Fluorophenyl)methyl]-4-morpholineethanamine
CID 2772118
1-benzyl-N-[(4-fluorophenyl)methyl]pyrrolidin-3-amine
CID 43085117
(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-(2,3,4-trifluoro-benzyl)-amine
CID 44441353
AChE/BChE/BACE-1-IN-2
CID 162652477
N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 168284396
1-(Morpholin-4-yl)-1-phenylpropan-2-amine
CID 3697140
1-Benzyl-2-methylpyrrolidin-3-amine
CID 12861920
rac-(4aR,7aS)-4-benzyl-octahydropyrrolo[3,4-b]morpholine
CID 10856960

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine (CID 56783533) is N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine is COCCN1CCC(NCc2ccc(F)cc2F)C1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine?
The InChIKey is FMRYCOFGGQWVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-19-7-6-18-5-4-13(10-18)17-9-11-2-3-12(15)8-14(11)16/h2-3,8,13,17H,4-7,9-10H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine?
N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine has a molecular weight of 270.32 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-3-amine is sourced from PubChem (CID 56783533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).