5-fluoro-N,N-dimethyl-2-[1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]aniline

C20H27FN4 — CID 75382671

IUPAC5-fluoro-N,N-dimethyl-2-[1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]aniline
SMILESCC(NCc1ccc(N2CCCC2)nc1)c1ccc(F)cc1N(C)C
InChIInChI=1S/C20H27FN4/c1-15(18-8-7-17(21)12-19(18)24(2)3)22-13-16-6-9-20(23-14-16)25-10-4-5-11-25/h6-9,12,14-15,22H,4-5,10-11,13H2,1-3H3
InChIKeyYDEOYRSEJSCOLJ-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.74
Rot. Bonds6

About 5-fluoro-N,N-dimethyl-2-[1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]aniline

5-fluoro-N,N-dimethyl-2-[1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]aniline (PubChem CID 75382671) has the molecular formula C20H27FN4 and a molecular weight of 342.46 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-2-[1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]aniline.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-2-[1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]aniline
PubChem CID75382671
Molecular FormulaC20H27FN4
Molecular Weight342.46 g/mol
Exact Mass342.22
IUPAC Name5-fluoro-N,N-dimethyl-2-[1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]aniline
SMILESCC(NCc1ccc(N2CCCC2)nc1)c1ccc(F)cc1N(C)C
InChIInChI=1S/C20H27FN4/c1-15(18-8-7-17(21)12-19(18)24(2)3)22-13-16-6-9-20(23-14-16)25-10-4-5-11-25/h6-9,12,14-15,22H,4-5,10-11,13H2,1-3H3
InChIKeyYDEOYRSEJSCOLJ-UHFFFAOYSA-N
XLogP3.74
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,4-difluorophenyl)ethyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
CID 55738522
1-(2-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 75382614
N-[[6-(azocan-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62279303
5-fluoro-N,N-dimethyl-2-[(1R)-1-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethylamino]ethyl]aniline
CID 97229613
5-(2-methylpropyl)-2-pyrrolidin-1-ylpyridine
CID 59000961
5-fluoro-N,N-dimethyl-2-[1-[(4-methyl-1,3-thiazol-5-yl)methylamino]ethyl]aniline
CID 75427897
1,1-diphenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 167851736
N-[(6-thiomorpholin-4-yl-3-pyridinyl)methyl]propan-2-amine
CID 62280369
(2R)-1-[methyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]propan-2-ol
CID 99629566
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55054509
1,1-di(cyclobutyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanamine
CID 100752528
N-[[6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55055089

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dimethyl-2-[1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]aniline?
The IUPAC name of 5-fluoro-N,N-dimethyl-2-[1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]aniline (CID 75382671) is 5-fluoro-N,N-dimethyl-2-[1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]aniline.
What is the SMILES notation for 5-fluoro-N,N-dimethyl-2-[1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]aniline?
The canonical SMILES for 5-fluoro-N,N-dimethyl-2-[1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]aniline is CC(NCc1ccc(N2CCCC2)nc1)c1ccc(F)cc1N(C)C.
What is the InChIKey of 5-fluoro-N,N-dimethyl-2-[1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]aniline?
The InChIKey is YDEOYRSEJSCOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4/c1-15(18-8-7-17(21)12-19(18)24(2)3)22-13-16-6-9-20(23-14-16)25-10-4-5-11-25/h6-9,12,14-15,22H,4-5,10-11,13H2,1-3H3.
What are the key properties of 5-fluoro-N,N-dimethyl-2-[1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]aniline?
5-fluoro-N,N-dimethyl-2-[1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]aniline has a molecular weight of 342.46 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dimethyl-2-[1-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]aniline is sourced from PubChem (CID 75382671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).