[1-(2-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanamine

C12H17FN2 — CID 43114257

IUPAC[1-(2-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanamine
SMILESCc1ccc(N2CCC(CN)C2)c(F)c1
InChIInChI=1S/C12H17FN2/c1-9-2-3-12(11(13)6-9)15-5-4-10(7-14)8-15/h2-3,6,10H,4-5,7-8,14H2,1H3
InChIKeyXDNGMXBMHSJSSB-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.92
Rot. Bonds2

About [1-(2-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanamine

[1-(2-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanamine (PubChem CID 43114257) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is [1-(2-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanamine
PubChem CID43114257
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name[1-(2-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanamine
SMILESCc1ccc(N2CCC(CN)C2)c(F)c1
InChIInChI=1S/C12H17FN2/c1-9-2-3-12(11(13)6-9)15-5-4-10(7-14)8-15/h2-3,6,10H,4-5,7-8,14H2,1H3
InChIKeyXDNGMXBMHSJSSB-UHFFFAOYSA-N
XLogP1.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(aminomethyl)pyrrolidin-1-yl]-4-methylbenzonitrile
CID 62306632
[1-(4-fluoro-2-iodophenyl)pyrrolidin-3-yl]methanamine
CID 79766665
[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanamine
CID 43119509
1-(2-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpyrrolidine
CID 78021133
[1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine
CID 61076640
1-(2-fluoro-4-methylphenyl)-N,3-dimethylpiperidin-4-amine
CID 54975731
[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methanamine
CID 61474220
[1-(4-fluoro-5-methyl-2-nitrophenyl)pyrrolidin-3-yl]methanamine
CID 103594143
[1-(2-fluorophenyl)azepan-3-yl]methanamine
CID 84687805
[1-(2-bromo-5-chlorophenyl)pyrrolidin-3-yl]methanamine
CID 81280509
4-(3-ethylpyrrolidin-1-yl)-3-fluorobenzenecarbothioamide
CID 113417510
2-[1-(4-amino-2-fluorophenyl)pyrrolidin-3-yl]ethanol
CID 114796888

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanamine (CID 43114257) is [1-(2-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanamine is Cc1ccc(N2CCC(CN)C2)c(F)c1.
What is the InChIKey of [1-(2-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is XDNGMXBMHSJSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-9-2-3-12(11(13)6-9)15-5-4-10(7-14)8-15/h2-3,6,10H,4-5,7-8,14H2,1H3.
What are the key properties of [1-(2-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanamine?
[1-(2-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanamine has a molecular weight of 208.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoro-4-methylphenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 43114257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).