4-[2-[4-(3-fluoro-4-methylphenyl)phenyl]ethyl]-6-methylpyridine-2,5-diamine

C21H22FN3 — CID 126678936

IUPAC4-[2-[4-(3-fluoro-4-methylphenyl)phenyl]ethyl]-6-methylpyridine-2,5-diamine
SMILESCc1ccc(-c2ccc(CCc3cc(N)nc(C)c3N)cc2)cc1F
InChIInChI=1S/C21H22FN3/c1-13-3-7-17(11-19(13)22)16-8-4-15(5-9-16)6-10-18-12-20(23)25-14(2)21(18)24/h3-5,7-9,11-12H,6,10,24H2,1-2H3,(H2,23,25)
InChIKeyLGRNORKQWISMNR-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.45
Rot. Bonds4

About 4-[2-[4-(3-fluoro-4-methylphenyl)phenyl]ethyl]-6-methylpyridine-2,5-diamine

4-[2-[4-(3-fluoro-4-methylphenyl)phenyl]ethyl]-6-methylpyridine-2,5-diamine (PubChem CID 126678936) has the molecular formula C21H22FN3 and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-[2-[4-(3-fluoro-4-methylphenyl)phenyl]ethyl]-6-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name4-[2-[4-(3-fluoro-4-methylphenyl)phenyl]ethyl]-6-methylpyridine-2,5-diamine
PubChem CID126678936
Molecular FormulaC21H22FN3
Molecular Weight335.43 g/mol
Exact Mass335.18
IUPAC Name4-[2-[4-(3-fluoro-4-methylphenyl)phenyl]ethyl]-6-methylpyridine-2,5-diamine
SMILESCc1ccc(-c2ccc(CCc3cc(N)nc(C)c3N)cc2)cc1F
InChIInChI=1S/C21H22FN3/c1-13-3-7-17(11-19(13)22)16-8-4-15(5-9-16)6-10-18-12-20(23)25-14(2)21(18)24/h3-5,7-9,11-12H,6,10,24H2,1-2H3,(H2,23,25)
InChIKeyLGRNORKQWISMNR-UHFFFAOYSA-N
XLogP4.45
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Blonanserin
CID 125564
2-Amino-4,6-diphenylpyridine-3-carbonitrile
CID 668105
2-Amino-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile
CID 695136
4-(4-Methylphenyl)-6-phenylpyridin-2-amine
CID 2113077
6-Isobutyl-4-methylpyridin-2-amine
CID 10197851
N-{(3r,4r)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}-N'-[2-(3-Fluorophenyl)ethyl]ethane-1,2-Diamine
CID 24764596
N-{(3S,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 24798098
6-(2-Fluoropropyl)-4-methylpyridin-2-amine
CID 42625451
6-(3-Fluoropropyl)-4-methylpyridin-2-amine
CID 42625617
N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 45259040
N-{(3s,4r)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}-N'-[2-(3-Fluorophenyl)ethyl]ethane-1,2-Diamine
CID 45259041
NOS Inhibitor, 3h
CID 46892701

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(3-fluoro-4-methylphenyl)phenyl]ethyl]-6-methylpyridine-2,5-diamine?
The IUPAC name of 4-[2-[4-(3-fluoro-4-methylphenyl)phenyl]ethyl]-6-methylpyridine-2,5-diamine (CID 126678936) is 4-[2-[4-(3-fluoro-4-methylphenyl)phenyl]ethyl]-6-methylpyridine-2,5-diamine.
What is the SMILES notation for 4-[2-[4-(3-fluoro-4-methylphenyl)phenyl]ethyl]-6-methylpyridine-2,5-diamine?
The canonical SMILES for 4-[2-[4-(3-fluoro-4-methylphenyl)phenyl]ethyl]-6-methylpyridine-2,5-diamine is Cc1ccc(-c2ccc(CCc3cc(N)nc(C)c3N)cc2)cc1F.
What is the InChIKey of 4-[2-[4-(3-fluoro-4-methylphenyl)phenyl]ethyl]-6-methylpyridine-2,5-diamine?
The InChIKey is LGRNORKQWISMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3/c1-13-3-7-17(11-19(13)22)16-8-4-15(5-9-16)6-10-18-12-20(23)25-14(2)21(18)24/h3-5,7-9,11-12H,6,10,24H2,1-2H3,(H2,23,25).
What are the key properties of 4-[2-[4-(3-fluoro-4-methylphenyl)phenyl]ethyl]-6-methylpyridine-2,5-diamine?
4-[2-[4-(3-fluoro-4-methylphenyl)phenyl]ethyl]-6-methylpyridine-2,5-diamine has a molecular weight of 335.43 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(3-fluoro-4-methylphenyl)phenyl]ethyl]-6-methylpyridine-2,5-diamine is sourced from PubChem (CID 126678936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).