N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-ethylbutan-1-amine

C15H23F2NO2 — CID 115581156

IUPACN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-ethylbutan-1-amine
SMILESCCC(CC)CNCc1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C15H23F2NO2/c1-4-11(5-2)9-18-10-12-6-7-13(19-3)14(8-12)20-15(16)17/h6-8,11,15,18H,4-5,9-10H2,1-3H3
InChIKeyWGQYTKSXFDSXNR-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.82
Rot. Bonds9

About N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-ethylbutan-1-amine

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-ethylbutan-1-amine (PubChem CID 115581156) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-ethylbutan-1-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-ethylbutan-1-amine
PubChem CID115581156
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-ethylbutan-1-amine
SMILESCCC(CC)CNCc1ccc(OC)c(OC(F)F)c1
InChIInChI=1S/C15H23F2NO2/c1-4-11(5-2)9-18-10-12-6-7-13(19-3)14(8-12)20-15(16)17/h6-8,11,15,18H,4-5,9-10H2,1-3H3
InChIKeyWGQYTKSXFDSXNR-UHFFFAOYSA-N
XLogP3.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-1-amine
CID 28512615
5-[(2-ethylbutylamino)methyl]-2-methoxyphenol
CID 83295597
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]propan-2-ol
CID 83323480
3-[[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]methyl]pentan-3-ol
CID 62058897
N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-1-[3-(difluoromethoxy)-4-methoxyphenyl]methanamine
CID 78870383
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,3,3-trifluoropropan-1-amine
CID 63226297
1-[(3,4-dimethoxyphenyl)methylamino]butan-2-ol
CID 60886428
1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735580
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-ethylpentan-3-amine
CID 65039727
1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(thiophen-3-ylmethyl)methanamine
CID 60760352
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-3-amine
CID 62118157
(2R)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]butan-1-ol
CID 28723108

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-ethylbutan-1-amine?
The IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-ethylbutan-1-amine (CID 115581156) is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-ethylbutan-1-amine.
What is the SMILES notation for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-ethylbutan-1-amine?
The canonical SMILES for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-ethylbutan-1-amine is CCC(CC)CNCc1ccc(OC)c(OC(F)F)c1.
What is the InChIKey of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-ethylbutan-1-amine?
The InChIKey is WGQYTKSXFDSXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-4-11(5-2)9-18-10-12-6-7-13(19-3)14(8-12)20-15(16)17/h6-8,11,15,18H,4-5,9-10H2,1-3H3.
What are the key properties of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-ethylbutan-1-amine?
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-ethylbutan-1-amine has a molecular weight of 287.35 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-ethylbutan-1-amine is sourced from PubChem (CID 115581156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).