N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(5-fluoro-2-pyridinyl)ethanamine

C17H22FN3 — CID 83118923

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCC(NCc1ccccc1CN(C)C)c1ccc(F)cn1
InChIInChI=1S/C17H22FN3/c1-13(17-9-8-16(18)11-20-17)19-10-14-6-4-5-7-15(14)12-21(2)3/h4-9,11,13,19H,10,12H2,1-3H3
InChIKeySHDAZTAEQKYLJX-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.13
Rot. Bonds6

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(5-fluoro-2-pyridinyl)ethanamine

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(5-fluoro-2-pyridinyl)ethanamine (PubChem CID 83118923) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(5-fluoro-2-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(5-fluoro-2-pyridinyl)ethanamine
PubChem CID83118923
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCC(NCc1ccccc1CN(C)C)c1ccc(F)cn1
InChIInChI=1S/C17H22FN3/c1-13(17-9-8-16(18)11-20-17)19-10-14-6-4-5-7-15(14)12-21(2)3/h4-9,11,13,19H,10,12H2,1-3H3
InChIKeySHDAZTAEQKYLJX-UHFFFAOYSA-N
XLogP3.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(5-fluoro-2-pyridinyl)ethanamine with MolForge

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 83118259
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(2-fluorophenyl)ethanamine
CID 43203767
N'-ethyl-N-[1-(5-fluoro-2-pyridinyl)ethyl]-N'-methylethane-1,2-diamine
CID 83120084
2,2-difluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]ethanamine
CID 83119275
1-(5-fluoro-2-pyridinyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 106391684
2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 83119730
1-(5-fluoro-2-pyridinyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 83119707
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-phenylbutan-1-amine
CID 83119801
N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine
CID 115896973
N-[2-(3-fluorophenyl)ethyl]-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83117836
1-(5-fluoro-2-pyridinyl)-N-(furan-3-ylmethyl)ethanamine
CID 115886247
N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(5-fluoro-2-pyridinyl)ethanamine?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(5-fluoro-2-pyridinyl)ethanamine (CID 83118923) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(5-fluoro-2-pyridinyl)ethanamine.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(5-fluoro-2-pyridinyl)ethanamine?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(5-fluoro-2-pyridinyl)ethanamine is CC(NCc1ccccc1CN(C)C)c1ccc(F)cn1.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(5-fluoro-2-pyridinyl)ethanamine?
The InChIKey is SHDAZTAEQKYLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-13(17-9-8-16(18)11-20-17)19-10-14-6-4-5-7-15(14)12-21(2)3/h4-9,11,13,19H,10,12H2,1-3H3.
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(5-fluoro-2-pyridinyl)ethanamine?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(5-fluoro-2-pyridinyl)ethanamine has a molecular weight of 287.38 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(5-fluoro-2-pyridinyl)ethanamine is sourced from PubChem (CID 83118923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).