[5-[4-[(dimethylamino)methyl]-3-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine

C15H24FN3 — CID 117418091

IUPAC[5-[4-[(dimethylamino)methyl]-3-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCN(C)Cc1ccc(C2CC(CN)CN2C)cc1F
InChIInChI=1S/C15H24FN3/c1-18(2)10-13-5-4-12(7-14(13)16)15-6-11(8-17)9-19(15)3/h4-5,7,11,15H,6,8-10,17H2,1-3H3
InChIKeyLNEHIGIZGUMGET-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.84
Rot. Bonds4

About [5-[4-[(dimethylamino)methyl]-3-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine

[5-[4-[(dimethylamino)methyl]-3-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117418091) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is [5-[4-[(dimethylamino)methyl]-3-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-[4-[(dimethylamino)methyl]-3-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117418091
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name[5-[4-[(dimethylamino)methyl]-3-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine
SMILESCN(C)Cc1ccc(C2CC(CN)CN2C)cc1F
InChIInChI=1S/C15H24FN3/c1-18(2)10-13-5-4-12(7-14(13)16)15-6-11(8-17)9-19(15)3/h4-5,7,11,15H,6,8-10,17H2,1-3H3
InChIKeyLNEHIGIZGUMGET-UHFFFAOYSA-N
XLogP1.84
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117490871
[5-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117492434
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-3-fluorobenzene-1,2-diol
CID 117353445
3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylaniline
CID 117339423
[1-methyl-5-(4-methyl-3-methylsulfanylphenyl)pyrrolidin-3-yl]methanamine
CID 117379928
[5-(3-chloro-4,5-difluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117406207
[5-(3-fluoro-4-imidazol-1-ylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117438516
[5-(1,3-benzoxathiol-6-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117379769
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2-methylphenol
CID 117314847
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-1,3-dimethylbenzimidazol-2-one
CID 117438743
[5-(6-fluoro-1,3-benzodioxol-5-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117383851
[5-(3-bromo-5-fluorophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117463198

Frequently Asked Questions

What is the IUPAC name of [5-[4-[(dimethylamino)methyl]-3-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-[4-[(dimethylamino)methyl]-3-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine (CID 117418091) is [5-[4-[(dimethylamino)methyl]-3-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-[4-[(dimethylamino)methyl]-3-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-[4-[(dimethylamino)methyl]-3-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine is CN(C)Cc1ccc(C2CC(CN)CN2C)cc1F.
What is the InChIKey of [5-[4-[(dimethylamino)methyl]-3-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is LNEHIGIZGUMGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-18(2)10-13-5-4-12(7-14(13)16)15-6-11(8-17)9-19(15)3/h4-5,7,11,15H,6,8-10,17H2,1-3H3.
What are the key properties of [5-[4-[(dimethylamino)methyl]-3-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine?
[5-[4-[(dimethylamino)methyl]-3-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 265.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[(dimethylamino)methyl]-3-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117418091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).