4-[2-(2-fluoro-5-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine

C17H22FN3 — CID 107931764

IUPAC4-[2-(2-fluoro-5-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine
SMILESCCCNC(Cc1ccnc(N)c1)c1cc(C)ccc1F
InChIInChI=1S/C17H22FN3/c1-3-7-20-16(10-13-6-8-21-17(19)11-13)14-9-12(2)4-5-15(14)18/h4-6,8-9,11,16,20H,3,7,10H2,1-2H3,(H2,19,21)
InChIKeyDKWFMPQWWKNUDS-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.39
Rot. Bonds6

About 4-[2-(2-fluoro-5-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine

4-[2-(2-fluoro-5-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine (PubChem CID 107931764) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-[2-(2-fluoro-5-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-(2-fluoro-5-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine
PubChem CID107931764
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name4-[2-(2-fluoro-5-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine
SMILESCCCNC(Cc1ccnc(N)c1)c1cc(C)ccc1F
InChIInChI=1S/C17H22FN3/c1-3-7-20-16(10-13-6-8-21-17(19)11-13)14-9-12(2)4-5-15(14)18/h4-6,8-9,11,16,20H,3,7,10H2,1-2H3,(H2,19,21)
InChIKeyDKWFMPQWWKNUDS-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

N-[1-(2-fluoro-5-methylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63415224
4-[2-(2-methylfuran-3-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 104790403
4-[2-(2-methylpyrimidin-4-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 115530998
N-[1-(5-bromo-2-fluorophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527246
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluoro-5-methylphenyl)ethyl]propan-1-amine
CID 105019681
N-[1-(2-fluoro-5-methylphenyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105030418
1-(2-fluoro-5-methylphenyl)-N-propylbut-3-en-1-amine
CID 116660920
N-[1-(5-chloro-2-fluorophenyl)-2-(4-chlorophenyl)ethyl]propan-1-amine
CID 63527400
N-[1-(5-chloro-2-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66461658
1-(2-fluoro-5-methylphenyl)-N',N'-dimethyl-N-propylpropane-1,3-diamine
CID 115346847
2-(4-chlorophenyl)-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 63412865
N-[2-(3-chloro-4-fluorophenyl)-1-(2-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 103043214

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluoro-5-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine?
The IUPAC name of 4-[2-(2-fluoro-5-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine (CID 107931764) is 4-[2-(2-fluoro-5-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-(2-fluoro-5-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine?
The canonical SMILES for 4-[2-(2-fluoro-5-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine is CCCNC(Cc1ccnc(N)c1)c1cc(C)ccc1F.
What is the InChIKey of 4-[2-(2-fluoro-5-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine?
The InChIKey is DKWFMPQWWKNUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-3-7-20-16(10-13-6-8-21-17(19)11-13)14-9-12(2)4-5-15(14)18/h4-6,8-9,11,16,20H,3,7,10H2,1-2H3,(H2,19,21).
What are the key properties of 4-[2-(2-fluoro-5-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine?
4-[2-(2-fluoro-5-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 4-[2-(2-fluoro-5-methylphenyl)-2-(propylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 107931764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).