3-[2-(4-fluoro-2-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine

C17H22FN3 — CID 81269673

IUPAC3-[2-(4-fluoro-2-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine
SMILESCCCNC(Cc1cccnc1N)c1ccc(F)cc1C
InChIInChI=1S/C17H22FN3/c1-3-8-20-16(11-13-5-4-9-21-17(13)19)15-7-6-14(18)10-12(15)2/h4-7,9-10,16,20H,3,8,11H2,1-2H3,(H2,19,21)
InChIKeyGBEYEDYXWAFZFK-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.39
Rot. Bonds6

About 3-[2-(4-fluoro-2-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine

3-[2-(4-fluoro-2-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine (PubChem CID 81269673) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-[2-(4-fluoro-2-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(4-fluoro-2-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine
PubChem CID81269673
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name3-[2-(4-fluoro-2-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine
SMILESCCCNC(Cc1cccnc1N)c1ccc(F)cc1C
InChIInChI=1S/C17H22FN3/c1-3-8-20-16(11-13-5-4-9-21-17(13)19)15-7-6-14(18)10-12(15)2/h4-7,9-10,16,20H,3,8,11H2,1-2H3,(H2,19,21)
InChIKeyGBEYEDYXWAFZFK-UHFFFAOYSA-N
XLogP3.39
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2,6-difluorophenyl)-2-(propylamino)ethyl]pyridin-2-amine
CID 79517746
N-[2-(5-fluoro-2-methylphenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 105373741
3-[2-(3-ethyl-2-pyridinyl)-2-(propylamino)ethyl]pyridin-2-amine
CID 82732814
N-[1-(2,4-difluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 43496285
3-[2-(ethylamino)-2-(2-fluoro-3-methylphenyl)ethyl]pyridin-2-amine
CID 107111565
N-[1-(3-chloro-2-pyridinyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 103444762
N-[1-(2-chloro-4-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63420114
N-[1-(2-bromo-4-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63528107
N-[2-(4-fluoro-2-methylphenyl)-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 114347863
1-(4-fluoro-2-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 63417221
N-[2-(2-bromo-4-fluorophenyl)-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 62603776
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 81270125

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluoro-2-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine?
The IUPAC name of 3-[2-(4-fluoro-2-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine (CID 81269673) is 3-[2-(4-fluoro-2-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-[2-(4-fluoro-2-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine?
The canonical SMILES for 3-[2-(4-fluoro-2-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine is CCCNC(Cc1cccnc1N)c1ccc(F)cc1C.
What is the InChIKey of 3-[2-(4-fluoro-2-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine?
The InChIKey is GBEYEDYXWAFZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-3-8-20-16(11-13-5-4-9-21-17(13)19)15-7-6-14(18)10-12(15)2/h4-7,9-10,16,20H,3,8,11H2,1-2H3,(H2,19,21).
What are the key properties of 3-[2-(4-fluoro-2-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine?
3-[2-(4-fluoro-2-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine has a molecular weight of 287.38 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluoro-2-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 81269673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).