5-tert-butyl-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline

C18H25NO2 — CID 63426533

IUPAC5-tert-butyl-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
SMILESCCc1ccc(CNc2cc(C(C)(C)C)ccc2OC)o1
InChIInChI=1S/C18H25NO2/c1-6-14-8-9-15(21-14)12-19-16-11-13(18(2,3)4)7-10-17(16)20-5/h7-11,19H,6,12H2,1-5H3
InChIKeyNMENUSGNYHCLIS-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.76
Rot. Bonds5

About 5-tert-butyl-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline

5-tert-butyl-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline (PubChem CID 63426533) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 5-tert-butyl-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-tert-butyl-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
PubChem CID63426533
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name5-tert-butyl-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
SMILESCCc1ccc(CNc2cc(C(C)(C)C)ccc2OC)o1
InChIInChI=1S/C18H25NO2/c1-6-14-8-9-15(21-14)12-19-16-11-13(18(2,3)4)7-10-17(16)20-5/h7-11,19H,6,12H2,1-5H3
InChIKeyNMENUSGNYHCLIS-UHFFFAOYSA-N
XLogP4.76
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-ethylfuran-2-yl)methylamino]-4-methoxybenzoic acid
CID 63742283
5-[(5-tert-butyl-2-methoxyanilino)methyl]furan-2-carbonitrile
CID 115743415
5-[(dimethylamino)methyl]-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
CID 62346152
5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2,4-dimethoxyaniline
CID 62344876
N-[(5-ethylfuran-2-yl)methyl]-3,4-dimethoxyaniline
CID 62347377
5-tert-butyl-N-(furan-3-ylmethyl)-2-methoxyaniline
CID 55162228
N-[(5-ethylfuran-2-yl)methyl]-2-methoxy-4-nitroaniline
CID 62345097
[5-[(5-bromo-2-methoxyanilino)methyl]furan-2-yl]methanol
CID 64591606
N-[(4-bromothiophen-2-yl)methyl]-5-tert-butyl-2-methoxyaniline
CID 43681244
3-[(5-iodofuran-2-yl)methylamino]-4-methoxybenzoic acid
CID 63742467
N'-(5-tert-butyl-2-methoxyphenyl)ethane-1,2-diamine
CID 96672535
5-tert-butyl-2-methoxy-N-(1H-pyrrol-2-ylmethyl)aniline
CID 55060260

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline?
The IUPAC name of 5-tert-butyl-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline (CID 63426533) is 5-tert-butyl-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline.
What is the SMILES notation for 5-tert-butyl-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline?
The canonical SMILES for 5-tert-butyl-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline is CCc1ccc(CNc2cc(C(C)(C)C)ccc2OC)o1.
What is the InChIKey of 5-tert-butyl-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline?
The InChIKey is NMENUSGNYHCLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-6-14-8-9-15(21-14)12-19-16-11-13(18(2,3)4)7-10-17(16)20-5/h7-11,19H,6,12H2,1-5H3.
What are the key properties of 5-tert-butyl-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline?
5-tert-butyl-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline has a molecular weight of 287.40 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline is sourced from PubChem (CID 63426533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).