N-ethyl-N-(2-fluorophenyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine

C17H22FN3 — CID 62283757

IUPACN-ethyl-N-(2-fluorophenyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCN(c1ccccc1F)c1ncccc1CNC(C)C
InChIInChI=1S/C17H22FN3/c1-4-21(16-10-6-5-9-15(16)18)17-14(8-7-11-19-17)12-20-13(2)3/h5-11,13,20H,4,12H2,1-3H3
InChIKeyOIELLFBNKVMFMU-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.88
Rot. Bonds6

About N-ethyl-N-(2-fluorophenyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine

N-ethyl-N-(2-fluorophenyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine (PubChem CID 62283757) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is N-ethyl-N-(2-fluorophenyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-fluorophenyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
PubChem CID62283757
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC NameN-ethyl-N-(2-fluorophenyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine
SMILESCCN(c1ccccc1F)c1ncccc1CNC(C)C
InChIInChI=1S/C17H22FN3/c1-4-21(16-10-6-5-9-15(16)18)17-14(8-7-11-19-17)12-20-13(2)3/h5-11,13,20H,4,12H2,1-3H3
InChIKeyOIELLFBNKVMFMU-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62280566
N-ethyl-N-(2-fluorophenyl)-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62283918
N-ethyl-2-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 63552892
[2-(N-ethyl-2-fluoroanilino)-3-fluoro-4-pyridinyl]methanol
CID 105383033
N-methyl-3-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 62283788
N,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105388745
N-ethyl-N-(4-fluorophenyl)-3-(methylaminomethyl)pyridin-2-amine
CID 62283240
N-[[3-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 115955092
N-ethyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43281572
N-ethyl-3-(ethylaminomethyl)-N-phenylpyridin-2-amine
CID 62279792
2-(N-ethyl-2-fluoroanilino)-3-fluoropyridine-4-carboxylic acid
CID 105382212
N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine
CID 62290830

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-fluorophenyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
The IUPAC name of N-ethyl-N-(2-fluorophenyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine (CID 62283757) is N-ethyl-N-(2-fluorophenyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-N-(2-fluorophenyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-N-(2-fluorophenyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine is CCN(c1ccccc1F)c1ncccc1CNC(C)C.
What is the InChIKey of N-ethyl-N-(2-fluorophenyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
The InChIKey is OIELLFBNKVMFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-4-21(16-10-6-5-9-15(16)18)17-14(8-7-11-19-17)12-20-13(2)3/h5-11,13,20H,4,12H2,1-3H3.
What are the key properties of N-ethyl-N-(2-fluorophenyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine?
N-ethyl-N-(2-fluorophenyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine has a molecular weight of 287.38 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-fluorophenyl)-3-[(propan-2-ylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 62283757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).