N,N-diethyl-2-methylpyridin-4-amine;1,2-dimethoxy-4-methylbenzene;ethane;1-fluoro-3-methylbenzene

C32H53FN2O2 — CID 144620445

IUPACN,N-diethyl-2-methylpyridin-4-amine;1,2-dimethoxy-4-methylbenzene;ethane;1-fluoro-3-methylbenzene
SMILESCC.CC.CC.CCN(CC)c1ccnc(C)c1.COc1ccc(C)cc1OC.Cc1cccc(F)c1
InChIInChI=1S/C10H16N2.C9H12O2.C7H7F.3C2H6/c1-4-12(5-2)10-6-7-11-9(3)8-10;1-7-4-5-8(10-2)9(6-7)11-3;1-6-3-2-4-7(8)5-6;3*1-2/h6-8H,4-5H2,1-3H3;4-6H,1-3H3;2-5H,1H3;3*1-2H3
InChIKeyLODJYUFSSNDQRV-UHFFFAOYSA-N
MW516.79 g/mol
LogP9.46
Rot. Bonds5

About N,N-diethyl-2-methylpyridin-4-amine;1,2-dimethoxy-4-methylbenzene;ethane;1-fluoro-3-methylbenzene

N,N-diethyl-2-methylpyridin-4-amine;1,2-dimethoxy-4-methylbenzene;ethane;1-fluoro-3-methylbenzene (PubChem CID 144620445) has the molecular formula C32H53FN2O2 and a molecular weight of 516.79 g/mol. Its IUPAC name is N,N-diethyl-2-methylpyridin-4-amine;1,2-dimethoxy-4-methylbenzene;ethane;1-fluoro-3-methylbenzene.

Molecular Properties

Compound NameN,N-diethyl-2-methylpyridin-4-amine;1,2-dimethoxy-4-methylbenzene;ethane;1-fluoro-3-methylbenzene
PubChem CID144620445
Molecular FormulaC32H53FN2O2
Molecular Weight516.79 g/mol
Exact Mass516.41
IUPAC NameN,N-diethyl-2-methylpyridin-4-amine;1,2-dimethoxy-4-methylbenzene;ethane;1-fluoro-3-methylbenzene
SMILESCC.CC.CC.CCN(CC)c1ccnc(C)c1.COc1ccc(C)cc1OC.Cc1cccc(F)c1
InChIInChI=1S/C10H16N2.C9H12O2.C7H7F.3C2H6/c1-4-12(5-2)10-6-7-11-9(3)8-10;1-7-4-5-8(10-2)9(6-7)11-3;1-6-3-2-4-7(8)5-6;3*1-2/h6-8H,4-5H2,1-3H3;4-6H,1-3H3;2-5H,1H3;3*1-2H3
InChIKeyLODJYUFSSNDQRV-UHFFFAOYSA-N
XLogP9.46
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.79
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-methylpyridin-4-amine;1,2-dimethoxy-4-methylbenzene;ethane;1-fluoro-3-methylbenzene?
The IUPAC name of N,N-diethyl-2-methylpyridin-4-amine;1,2-dimethoxy-4-methylbenzene;ethane;1-fluoro-3-methylbenzene (CID 144620445) is N,N-diethyl-2-methylpyridin-4-amine;1,2-dimethoxy-4-methylbenzene;ethane;1-fluoro-3-methylbenzene.
What is the SMILES notation for N,N-diethyl-2-methylpyridin-4-amine;1,2-dimethoxy-4-methylbenzene;ethane;1-fluoro-3-methylbenzene?
The canonical SMILES for N,N-diethyl-2-methylpyridin-4-amine;1,2-dimethoxy-4-methylbenzene;ethane;1-fluoro-3-methylbenzene is CC.CC.CC.CCN(CC)c1ccnc(C)c1.COc1ccc(C)cc1OC.Cc1cccc(F)c1.
What is the InChIKey of N,N-diethyl-2-methylpyridin-4-amine;1,2-dimethoxy-4-methylbenzene;ethane;1-fluoro-3-methylbenzene?
The InChIKey is LODJYUFSSNDQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.C9H12O2.C7H7F.3C2H6/c1-4-12(5-2)10-6-7-11-9(3)8-10;1-7-4-5-8(10-2)9(6-7)11-3;1-6-3-2-4-7(8)5-6;3*1-2/h6-8H,4-5H2,1-3H3;4-6H,1-3H3;2-5H,1H3;3*1-2H3.
What are the key properties of N,N-diethyl-2-methylpyridin-4-amine;1,2-dimethoxy-4-methylbenzene;ethane;1-fluoro-3-methylbenzene?
N,N-diethyl-2-methylpyridin-4-amine;1,2-dimethoxy-4-methylbenzene;ethane;1-fluoro-3-methylbenzene has a molecular weight of 516.79 g/mol, XLogP of 9.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-methylpyridin-4-amine;1,2-dimethoxy-4-methylbenzene;ethane;1-fluoro-3-methylbenzene is sourced from PubChem (CID 144620445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).