1-(2-fluoro-5-pyrrolidin-1-ylphenyl)-N-methylmethanamine

C12H17FN2 — CID 84750840

IUPAC1-(2-fluoro-5-pyrrolidin-1-ylphenyl)-N-methylmethanamine
SMILESCNCc1cc(N2CCCC2)ccc1F
InChIInChI=1S/C12H17FN2/c1-14-9-10-8-11(4-5-12(10)13)15-6-2-3-7-15/h4-5,8,14H,2-3,6-7,9H2,1H3
InChIKeyAHXGUGNDBVJHIY-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.15
Rot. Bonds3

About 1-(2-fluoro-5-pyrrolidin-1-ylphenyl)-N-methylmethanamine

1-(2-fluoro-5-pyrrolidin-1-ylphenyl)-N-methylmethanamine (PubChem CID 84750840) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(2-fluoro-5-pyrrolidin-1-ylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-fluoro-5-pyrrolidin-1-ylphenyl)-N-methylmethanamine
PubChem CID84750840
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-(2-fluoro-5-pyrrolidin-1-ylphenyl)-N-methylmethanamine
SMILESCNCc1cc(N2CCCC2)ccc1F
InChIInChI=1S/C12H17FN2/c1-14-9-10-8-11(4-5-12(10)13)15-6-2-3-7-15/h4-5,8,14H,2-3,6-7,9H2,1H3
InChIKeyAHXGUGNDBVJHIY-UHFFFAOYSA-N
XLogP2.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-chloro-1-[2-fluoro-5-(4-methoxypiperidin-1-yl)phenyl]methanamine
CID 123397570
N-[(5-chloro-2-fluorophenyl)methyl]-4-pyrrolidin-1-ylaniline
CID 115761922
N-[(2-fluoro-5-methylphenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 103818774
1-(4-fluoro-3-iodophenyl)pyrrolidine
CID 168512931
N-methyl-1-[2-methyl-4-(1,4-thiazepan-4-yl)phenyl]methanamine
CID 62134711
1-[3-(fluoromethyl)-4-methylphenyl]piperidine
CID 174505222
[4-(azocan-1-yl)-2-fluorophenyl]methanamine
CID 115366666
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-2-methylpropanamide
CID 110361779
1-[4-(4-cyclopropylpiperazin-1-yl)-2-methylphenyl]-N-methylmethanamine
CID 62136233
N-(2-fluoro-5-piperidin-1-ylphenyl)ethanesulfonamide
CID 110362270
4-fluoro-N,N-dimethyl-3-(methylaminomethyl)aniline
CID 84750842
1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 54911684

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-pyrrolidin-1-ylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-fluoro-5-pyrrolidin-1-ylphenyl)-N-methylmethanamine (CID 84750840) is 1-(2-fluoro-5-pyrrolidin-1-ylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-fluoro-5-pyrrolidin-1-ylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-fluoro-5-pyrrolidin-1-ylphenyl)-N-methylmethanamine is CNCc1cc(N2CCCC2)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-pyrrolidin-1-ylphenyl)-N-methylmethanamine?
The InChIKey is AHXGUGNDBVJHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-14-9-10-8-11(4-5-12(10)13)15-6-2-3-7-15/h4-5,8,14H,2-3,6-7,9H2,1H3.
What are the key properties of 1-(2-fluoro-5-pyrrolidin-1-ylphenyl)-N-methylmethanamine?
1-(2-fluoro-5-pyrrolidin-1-ylphenyl)-N-methylmethanamine has a molecular weight of 208.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-pyrrolidin-1-ylphenyl)-N-methylmethanamine is sourced from PubChem (CID 84750840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).