N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine

C17H22FN3 — CID 107454398

IUPACN-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine
SMILESCNCc1ccc(F)c(CN(C)CCc2ccncc2)c1
InChIInChI=1S/C17H22FN3/c1-19-12-15-3-4-17(18)16(11-15)13-21(2)10-7-14-5-8-20-9-6-14/h3-6,8-9,11,19H,7,10,12-13H2,1-2H3
InChIKeyWRTCFZOZSHKMPP-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.61
Rot. Bonds7

About N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine

N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine (PubChem CID 107454398) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine
PubChem CID107454398
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC NameN-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine
SMILESCNCc1ccc(F)c(CN(C)CCc2ccncc2)c1
InChIInChI=1S/C17H22FN3/c1-19-12-15-3-4-17(18)16(11-15)13-21(2)10-7-14-5-8-20-9-6-14/h3-6,8-9,11,19H,7,10,12-13H2,1-2H3
InChIKeyWRTCFZOZSHKMPP-UHFFFAOYSA-N
XLogP2.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine
CID 107454369
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylpentan-1-amine
CID 107454220
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylpent-4-en-1-amine
CID 107455677
4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
CID 54945465
2-chloro-N-methyl-4-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)aniline
CID 81148547
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 86978948
1-[4-fluoro-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]-N-methylmethanamine
CID 107455085
N-[[2-fluoro-4-(methylaminomethyl)phenyl]methyl]-N-methyl-2-naphthalen-1-ylethanamine
CID 167275706
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 107454826
N-methyl-4-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-3-amine
CID 105073101
2-fluoro-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylaniline
CID 107454661
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 102662788

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine?
The IUPAC name of N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine (CID 107454398) is N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine?
The canonical SMILES for N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine is CNCc1ccc(F)c(CN(C)CCc2ccncc2)c1.
What is the InChIKey of N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine?
The InChIKey is WRTCFZOZSHKMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-19-12-15-3-4-17(18)16(11-15)13-21(2)10-7-14-5-8-20-9-6-14/h3-6,8-9,11,19H,7,10,12-13H2,1-2H3.
What are the key properties of N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine?
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine has a molecular weight of 287.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 107454398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).