1-(3-fluoro-4-methoxyphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine

C16H25FN2O — CID 107521976

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
SMILESCOc1ccc(C(N)CN2CCC(C(C)C)C2)cc1F
InChIInChI=1S/C16H25FN2O/c1-11(2)13-6-7-19(9-13)10-15(18)12-4-5-16(20-3)14(17)8-12/h4-5,8,11,13,15H,6-7,9-10,18H2,1-3H3
InChIKeyKOGOBDDVFVVTIT-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.81
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine

1-(3-fluoro-4-methoxyphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine (PubChem CID 107521976) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
PubChem CID107521976
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
SMILESCOc1ccc(C(N)CN2CCC(C(C)C)C2)cc1F
InChIInChI=1S/C16H25FN2O/c1-11(2)13-6-7-19(9-13)10-15(18)12-4-5-16(20-3)14(17)8-12/h4-5,8,11,13,15H,6-7,9-10,18H2,1-3H3
InChIKeyKOGOBDDVFVVTIT-UHFFFAOYSA-N
XLogP2.81
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 107522241
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
(1S)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 94248825
1-(2-fluorophenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 114058299
1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
CID 43474211
(1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171201487
(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride
CID 171221010
2-(1-ethylpiperidin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 83973600
2-(2,4-dimethylpyrrolidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 107522052
1-(2-methoxyphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103495074
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 116861391

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine (CID 107521976) is 1-(3-fluoro-4-methoxyphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine is COc1ccc(C(N)CN2CCC(C(C)C)C2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine?
The InChIKey is KOGOBDDVFVVTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-11(2)13-6-7-19(9-13)10-15(18)12-4-5-16(20-3)14(17)8-12/h4-5,8,11,13,15H,6-7,9-10,18H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine?
1-(3-fluoro-4-methoxyphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine has a molecular weight of 280.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-(3-propan-2-ylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 107521976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).