2-(2,4-dimethylpyrrolidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine

C15H23FN2O — CID 107522052

IUPAC2-(2,4-dimethylpyrrolidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)CN2CC(C)CC2C)cc1F
InChIInChI=1S/C15H23FN2O/c1-10-6-11(2)18(8-10)9-14(17)12-4-5-15(19-3)13(16)7-12/h4-5,7,10-11,14H,6,8-9,17H2,1-3H3
InChIKeyUCRBGLDKLCDMFA-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.56
Rot. Bonds4

About 2-(2,4-dimethylpyrrolidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine

2-(2,4-dimethylpyrrolidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine (PubChem CID 107522052) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-(2,4-dimethylpyrrolidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dimethylpyrrolidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
PubChem CID107522052
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-(2,4-dimethylpyrrolidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)CN2CC(C)CC2C)cc1F
InChIInChI=1S/C15H23FN2O/c1-10-6-11(2)18(8-10)9-14(17)12-4-5-15(19-3)13(16)7-12/h4-5,7,10-11,14H,6,8-9,17H2,1-3H3
InChIKeyUCRBGLDKLCDMFA-UHFFFAOYSA-N
XLogP2.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylmorpholin-4-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 107519671
2-(4-ethyl-3-methylpiperazin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 107521195
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 107522093
1-(3-fluoro-4-methoxyphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 107521976
(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride
CID 171221010
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
(1S)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 94248825
1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 107522241
1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
CID 43474211
(1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171201487
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 116861391
2-(3,4-dimethylpiperazin-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65096479

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpyrrolidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(2,4-dimethylpyrrolidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine (CID 107522052) is 2-(2,4-dimethylpyrrolidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,4-dimethylpyrrolidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,4-dimethylpyrrolidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine is COc1ccc(C(N)CN2CC(C)CC2C)cc1F.
What is the InChIKey of 2-(2,4-dimethylpyrrolidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
The InChIKey is UCRBGLDKLCDMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-10-6-11(2)18(8-10)9-14(17)12-4-5-15(19-3)13(16)7-12/h4-5,7,10-11,14H,6,8-9,17H2,1-3H3.
What are the key properties of 2-(2,4-dimethylpyrrolidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine?
2-(2,4-dimethylpyrrolidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine has a molecular weight of 266.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpyrrolidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine is sourced from PubChem (CID 107522052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).