[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine

C12H17FN2O — CID 103530728

IUPAC[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
SMILESCOC1CCN(c2ccc(CN)cc2F)C1
InChIInChI=1S/C12H17FN2O/c1-16-10-4-5-15(8-10)12-3-2-9(7-14)6-11(12)13/h2-3,6,10H,4-5,7-8,14H2,1H3
InChIKeyMVPCZJWKZYIHBJ-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.51
Rot. Bonds3

About [3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine

[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine (PubChem CID 103530728) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is [3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
PubChem CID103530728
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
SMILESCOC1CCN(c2ccc(CN)cc2F)C1
InChIInChI=1S/C12H17FN2O/c1-16-10-4-5-15(8-10)12-3-2-9(7-14)6-11(12)13/h2-3,6,10H,4-5,7-8,14H2,1H3
InChIKeyMVPCZJWKZYIHBJ-UHFFFAOYSA-N
XLogP1.51
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-4-(3-methoxypiperidin-1-yl)phenyl]methanamine
CID 102955941
3-fluoro-4-(3-methoxypyrrolidin-1-yl)aniline
CID 103530518
[2,3-difluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
CID 107933093
ethyl 3-fluoro-4-(3-methoxypyrrolidin-1-yl)benzoate
CID 146335739
[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]methanamine
CID 114236471
N-[[3-fluoro-4-(4-methoxypiperidin-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63058425
[4-(3,5-dimethylpiperidin-1-yl)-3-fluorophenyl]methanamine
CID 43122266
2-[4-(3,4-dimethoxypyrrolidin-1-yl)-3-fluorophenyl]ethanamine
CID 103540653
[3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanamine
CID 66392437
[2-(3-methoxypyrrolidin-1-yl)-4-methylphenyl]methanamine
CID 103530729
2-[4-(3-methoxypiperidin-1-yl)-3-(trifluoromethyl)phenyl]ethanamine
CID 102968834
2-amino-4-fluoro-5-(3-methoxypyrrolidin-1-yl)benzoic acid
CID 103537163

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine?
The IUPAC name of [3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine (CID 103530728) is [3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine?
The canonical SMILES for [3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine is COC1CCN(c2ccc(CN)cc2F)C1.
What is the InChIKey of [3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine?
The InChIKey is MVPCZJWKZYIHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-16-10-4-5-15(8-10)12-3-2-9(7-14)6-11(12)13/h2-3,6,10H,4-5,7-8,14H2,1H3.
What are the key properties of [3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine?
[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine has a molecular weight of 224.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine is sourced from PubChem (CID 103530728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).