N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-ethylaniline

C18H26N2O — CID 62424681

IUPACN-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-ethylaniline
SMILESCCN(Cc1cc(CNC(C)(C)C)co1)c1ccccc1
InChIInChI=1S/C18H26N2O/c1-5-20(16-9-7-6-8-10-16)13-17-11-15(14-21-17)12-19-18(2,3)4/h6-11,14,19H,5,12-13H2,1-4H3
InChIKeyNDZLCKSFXCCJBX-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.19
Rot. Bonds6

About N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-ethylaniline

N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-ethylaniline (PubChem CID 62424681) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-ethylaniline.

Molecular Properties

Compound NameN-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-ethylaniline
PubChem CID62424681
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-ethylaniline
SMILESCCN(Cc1cc(CNC(C)(C)C)co1)c1ccccc1
InChIInChI=1S/C18H26N2O/c1-5-20(16-9-7-6-8-10-16)13-17-11-15(14-21-17)12-19-18(2,3)4/h6-11,14,19H,5,12-13H2,1-4H3
InChIKeyNDZLCKSFXCCJBX-UHFFFAOYSA-N
XLogP4.19
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-ethylaniline?
The IUPAC name of N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-ethylaniline (CID 62424681) is N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-ethylaniline.
What is the SMILES notation for N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-ethylaniline?
The canonical SMILES for N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-ethylaniline is CCN(Cc1cc(CNC(C)(C)C)co1)c1ccccc1.
What is the InChIKey of N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-ethylaniline?
The InChIKey is NDZLCKSFXCCJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-20(16-9-7-6-8-10-16)13-17-11-15(14-21-17)12-19-18(2,3)4/h6-11,14,19H,5,12-13H2,1-4H3.
What are the key properties of N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-ethylaniline?
N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-ethylaniline has a molecular weight of 286.42 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-ethylaniline is sourced from PubChem (CID 62424681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).