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

C12H17FN2 — CID 115025944

IUPAC[3-fluoro-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine
SMILESCc1ccccc1N1CCC(F)(CN)C1
InChIInChI=1S/C12H17FN2/c1-10-4-2-3-5-11(10)15-7-6-12(13,8-14)9-15/h2-5H,6-9,14H2,1H3
InChIKeyUDQUJTAIEGZUHL-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.87
Rot. Bonds2

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

[3-fluoro-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine (PubChem CID 115025944) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is [3-fluoro-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-fluoro-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine
PubChem CID115025944
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name[3-fluoro-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine
SMILESCc1ccccc1N1CCC(F)(CN)C1
InChIInChI=1S/C12H17FN2/c1-10-4-2-3-5-11(10)15-7-6-12(13,8-14)9-15/h2-5H,6-9,14H2,1H3
InChIKeyUDQUJTAIEGZUHL-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-yl]methanamine
CID 117007839
4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol
CID 82286374
3-(aminomethyl)-1-(2-methylphenyl)piperidin-3-ol
CID 115032266
3-(fluoromethyl)-1-(2-methylphenyl)piperidin-3-amine
CID 115033528
(3-fluoro-1-phenylpiperidin-3-yl)methanamine
CID 115025936
[1-(2-bromophenyl)-4-fluoroazepan-4-yl]methanamine
CID 115053446
1,3-bis(2-methylphenyl)imidazolidine;ethane
CID 145329565
1-(2-methylphenyl)azetidine;hydrochloride
CID 176582976
3-(aminomethyl)-1-(2-chlorophenyl)-N,N-dimethylpyrrolidin-3-amine
CID 117012477
[2-(5-azaspiro[2.3]hexan-5-yl)-6-methylphenyl]methanamine
CID 107804131
[4,4-dimethyl-1-(2-methylphenyl)piperidin-3-yl]methanol
CID 117025837
8-(2-methylphenyl)-1-oxa-8-azaspiro[4.5]decane
CID 142088748

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [3-fluoro-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine (CID 115025944) is [3-fluoro-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-fluoro-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-fluoro-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine is Cc1ccccc1N1CCC(F)(CN)C1.
What is the InChIKey of [3-fluoro-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is UDQUJTAIEGZUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-10-4-2-3-5-11(10)15-7-6-12(13,8-14)9-15/h2-5H,6-9,14H2,1H3.
What are the key properties of [3-fluoro-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine?
[3-fluoro-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine has a molecular weight of 208.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 115025944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).