N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethoxyaniline

C16H21NO3 — CID 43121263

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NC(C)c2cc(C)oc2C)c1
InChIInChI=1S/C16H21NO3/c1-10-8-14(12(3)20-10)11(2)17-15-9-13(18-4)6-7-16(15)19-5/h6-9,11,17H,1-5H3
InChIKeyVNXXXXYQIGJVDZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.09
Rot. Bonds5

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethoxyaniline

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethoxyaniline (PubChem CID 43121263) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethoxyaniline.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethoxyaniline
PubChem CID43121263
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethoxyaniline
SMILESCOc1ccc(OC)c(NC(C)c2cc(C)oc2C)c1
InChIInChI=1S/C16H21NO3/c1-10-8-14(12(3)20-10)11(2)17-15-9-13(18-4)6-7-16(15)19-5/h6-9,11,17H,1-5H3
InChIKeyVNXXXXYQIGJVDZ-UHFFFAOYSA-N
XLogP4.09
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-2,5-dimethoxyaniline
CID 43192925
N-[1-(1-benzofuran-2-yl)ethyl]-2,5-dimethoxyaniline
CID 43824329
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 79513905
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-iodo-2-methylaniline
CID 114256989
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylaniline
CID 43729713
1-(2,5-dimethylfuran-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 47081563
N-[1-(4-bromothiophen-2-yl)ethyl]-2,5-dimethoxyaniline
CID 107167769
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxypyridin-3-amine
CID 43121192
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-difluoroaniline
CID 43192574
methyl 2-(2,5-dimethoxyanilino)propanoate
CID 54941046
3-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methylbenzene-1,3-diamine
CID 55145854
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,5-dimethoxyaniline
CID 43760240

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethoxyaniline?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethoxyaniline (CID 43121263) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethoxyaniline.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethoxyaniline?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethoxyaniline is COc1ccc(OC)c(NC(C)c2cc(C)oc2C)c1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethoxyaniline?
The InChIKey is VNXXXXYQIGJVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-10-8-14(12(3)20-10)11(2)17-15-9-13(18-4)6-7-16(15)19-5/h6-9,11,17H,1-5H3.
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethoxyaniline?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethoxyaniline has a molecular weight of 275.35 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethoxyaniline is sourced from PubChem (CID 43121263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).