(1R)-1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluorophenyl]ethanamine

C15H24FN3 — CID 63368980

IUPAC(1R)-1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1c(F)cccc1N1CCCC1CN(C)C
InChIInChI=1S/C15H24FN3/c1-11(17)15-13(16)7-4-8-14(15)19-9-5-6-12(19)10-18(2)3/h4,7-8,11-12H,5-6,9-10,17H2,1-3H3/t11-,12?/m1/s1
InChIKeyWJJUEACOLQBSQL-JHJMLUEUSA-N
MW265.38 g/mol
LogP2.38
Rot. Bonds4

About (1R)-1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluorophenyl]ethanamine

(1R)-1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluorophenyl]ethanamine (PubChem CID 63368980) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is (1R)-1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluorophenyl]ethanamine
PubChem CID63368980
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name(1R)-1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1c(F)cccc1N1CCCC1CN(C)C
InChIInChI=1S/C15H24FN3/c1-11(17)15-13(16)7-4-8-14(15)19-9-5-6-12(19)10-18(2)3/h4,7-8,11-12H,5-6,9-10,17H2,1-3H3/t11-,12?/m1/s1
InChIKeyWJJUEACOLQBSQL-JHJMLUEUSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluorophenyl]ethanamine
CID 62889981
(1R)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-fluorophenyl]ethanamine
CID 63368625
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-6-fluorophenyl]ethanamine
CID 102726773
1-[2-fluoro-6-[2-(hydroxymethyl)azepan-1-yl]phenyl]ethanol
CID 116635301
[(2S)-1-(2-fluorophenyl)pyrrolidin-2-yl]methanamine
CID 130691324
1-[1-[4-(aminomethyl)-2-fluorophenyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62885527
3-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 78940988
(1S)-1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 78934450
[4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorophenyl]methanol
CID 62887739
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-fluorobenzenecarboximidamide
CID 62887717
5-[(dimethylamino)methyl]-1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol
CID 66056615
(1R)-1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine
CID 113335795

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluorophenyl]ethanamine?
The IUPAC name of (1R)-1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluorophenyl]ethanamine (CID 63368980) is (1R)-1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluorophenyl]ethanamine is C[C@@H](N)c1c(F)cccc1N1CCCC1CN(C)C.
What is the InChIKey of (1R)-1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluorophenyl]ethanamine?
The InChIKey is WJJUEACOLQBSQL-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H24FN3/c1-11(17)15-13(16)7-4-8-14(15)19-9-5-6-12(19)10-18(2)3/h4,7-8,11-12H,5-6,9-10,17H2,1-3H3/t11-,12?/m1/s1.
What are the key properties of (1R)-1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluorophenyl]ethanamine?
(1R)-1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluorophenyl]ethanamine has a molecular weight of 265.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-6-fluorophenyl]ethanamine is sourced from PubChem (CID 63368980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).