4-(3,4-difluorophenyl)-1-(methoxymethyl)pyrrolidin-3-amine

C12H16F2N2O — CID 141470571

IUPAC4-(3,4-difluorophenyl)-1-(methoxymethyl)pyrrolidin-3-amine
SMILESCOCN1CC(N)C(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C12H16F2N2O/c1-17-7-16-5-9(12(15)6-16)8-2-3-10(13)11(14)4-8/h2-4,9,12H,5-7,15H2,1H3
InChIKeyNHWDLRWMMPOAID-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.30
Rot. Bonds3

About 4-(3,4-difluorophenyl)-1-(methoxymethyl)pyrrolidin-3-amine

4-(3,4-difluorophenyl)-1-(methoxymethyl)pyrrolidin-3-amine (PubChem CID 141470571) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-1-(methoxymethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-1-(methoxymethyl)pyrrolidin-3-amine
PubChem CID141470571
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name4-(3,4-difluorophenyl)-1-(methoxymethyl)pyrrolidin-3-amine
SMILESCOCN1CC(N)C(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C12H16F2N2O/c1-17-7-16-5-9(12(15)6-16)8-2-3-10(13)11(14)4-8/h2-4,9,12H,5-7,15H2,1H3
InChIKeyNHWDLRWMMPOAID-UHFFFAOYSA-N
XLogP1.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S,4R)-3-amino-4-(3,4-difluorophenyl)pyrrolidin-1-yl]-1-chloro-3-methoxypropan-1-ol
CID 135379397
1-(2-methoxyethyl)-4-(3,4,5-trifluorophenyl)pyrrolidin-3-amine;dihydrochloride
CID 89188767
trans-(1S,2R)-2-(3,4-difluorophenyl)cyclopropan-1-amine;trans-(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine
CID 154925657
4-(3-fluoro-4-methoxyphenyl)-1-methylpyrrolidin-3-amine
CID 82391825
3-(3,4-difluorophenyl)-2-methylcyclobutan-1-amine
CID 81414919
[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]methanamine
CID 94556780
(3R,4S)-1-benzyl-3-(3,4-difluorophenyl)-4-ethylpyrrolidine
CID 123467525
(3S)-4-(2,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 71041194
(3R)-3-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine
CID 71040970
(3S,4R)-1-(2-methoxyethyl)-4-phenylpyrrolidin-3-amine
CID 89188602
3-[[(1S,2S)-2-(3,4-difluorophenyl)cyclopropyl]methyl]cyclobutan-1-amine
CID 134365408
(3S,4R)-1-[(5-chloro-2-fluorophenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770008

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-1-(methoxymethyl)pyrrolidin-3-amine?
The IUPAC name of 4-(3,4-difluorophenyl)-1-(methoxymethyl)pyrrolidin-3-amine (CID 141470571) is 4-(3,4-difluorophenyl)-1-(methoxymethyl)pyrrolidin-3-amine.
What is the SMILES notation for 4-(3,4-difluorophenyl)-1-(methoxymethyl)pyrrolidin-3-amine?
The canonical SMILES for 4-(3,4-difluorophenyl)-1-(methoxymethyl)pyrrolidin-3-amine is COCN1CC(N)C(c2ccc(F)c(F)c2)C1.
What is the InChIKey of 4-(3,4-difluorophenyl)-1-(methoxymethyl)pyrrolidin-3-amine?
The InChIKey is NHWDLRWMMPOAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-17-7-16-5-9(12(15)6-16)8-2-3-10(13)11(14)4-8/h2-4,9,12H,5-7,15H2,1H3.
What are the key properties of 4-(3,4-difluorophenyl)-1-(methoxymethyl)pyrrolidin-3-amine?
4-(3,4-difluorophenyl)-1-(methoxymethyl)pyrrolidin-3-amine has a molecular weight of 242.27 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-1-(methoxymethyl)pyrrolidin-3-amine is sourced from PubChem (CID 141470571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).