[3-(3-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine

C12H17FN2 — CID 105462009

IUPAC[3-(3-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine
SMILESCN1CCC(c2cccc(F)c2)C1CN
InChIInChI=1S/C12H17FN2/c1-15-6-5-11(12(15)8-14)9-3-2-4-10(13)7-9/h2-4,7,11-12H,5-6,8,14H2,1H3
InChIKeyIHTDPCSEWWSGGX-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.57
Rot. Bonds2

About [3-(3-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine

[3-(3-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine (PubChem CID 105462009) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is [3-(3-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(3-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine
PubChem CID105462009
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name[3-(3-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine
SMILESCN1CCC(c2cccc(F)c2)C1CN
InChIInChI=1S/C12H17FN2/c1-15-6-5-11(12(15)8-14)9-3-2-4-10(13)7-9/h2-4,7,11-12H,5-6,8,14H2,1H3
InChIKeyIHTDPCSEWWSGGX-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(aminomethyl)-1-methylpyrrolidin-3-yl]phenol
CID 105459318
[3-(4-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine
CID 105462010
[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methanamine;hydrochloride
CID 68924561
(3S,4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-amine
CID 96623121
[4-ethyl-2-(3-fluorophenyl)cyclohexyl]methanamine
CID 81010427
2-(3-fluorophenyl)cyclobutan-1-amine
CID 81014796
(1S)-1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]ethanamine
CID 29079515
(1S)-1-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]ethanamine
CID 124745003
[1-(3-fluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine
CID 102783770
(2S,3S)-2-[(3-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 175660491
3-(3-fluorophenyl)-1-methylpyrazolidine
CID 163747853
1-butyl-4-(3-fluorophenyl)piperidine
CID 174904971

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine?
The IUPAC name of [3-(3-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine (CID 105462009) is [3-(3-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [3-(3-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [3-(3-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine is CN1CCC(c2cccc(F)c2)C1CN.
What is the InChIKey of [3-(3-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine?
The InChIKey is IHTDPCSEWWSGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-15-6-5-11(12(15)8-14)9-3-2-4-10(13)7-9/h2-4,7,11-12H,5-6,8,14H2,1H3.
What are the key properties of [3-(3-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine?
[3-(3-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine has a molecular weight of 208.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 105462009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).