N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,4-dimethylaniline

C18H26N2O — CID 62431053

IUPACN-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,4-dimethylaniline
SMILESCc1ccc(N(C)Cc2ccoc2CNC(C)(C)C)cc1
InChIInChI=1S/C18H26N2O/c1-14-6-8-16(9-7-14)20(5)13-15-10-11-21-17(15)12-19-18(2,3)4/h6-11,19H,12-13H2,1-5H3
InChIKeyNGSSRTUZRWYOSR-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.11
Rot. Bonds5

About N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,4-dimethylaniline

N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,4-dimethylaniline (PubChem CID 62431053) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,4-dimethylaniline.

Molecular Properties

Compound NameN-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,4-dimethylaniline
PubChem CID62431053
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,4-dimethylaniline
SMILESCc1ccc(N(C)Cc2ccoc2CNC(C)(C)C)cc1
InChIInChI=1S/C18H26N2O/c1-14-6-8-16(9-7-14)20(5)13-15-10-11-21-17(15)12-19-18(2,3)4/h6-11,19H,12-13H2,1-5H3
InChIKeyNGSSRTUZRWYOSR-UHFFFAOYSA-N
XLogP4.11
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,4-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,4-dimethylaniline?
The IUPAC name of N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,4-dimethylaniline (CID 62431053) is N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,4-dimethylaniline.
What is the SMILES notation for N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,4-dimethylaniline?
The canonical SMILES for N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,4-dimethylaniline is Cc1ccc(N(C)Cc2ccoc2CNC(C)(C)C)cc1.
What is the InChIKey of N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,4-dimethylaniline?
The InChIKey is NGSSRTUZRWYOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-6-8-16(9-7-14)20(5)13-15-10-11-21-17(15)12-19-18(2,3)4/h6-11,19H,12-13H2,1-5H3.
What are the key properties of N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,4-dimethylaniline?
N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,4-dimethylaniline has a molecular weight of 286.42 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(tert-butylamino)methyl]furan-3-yl]methyl]-N,4-dimethylaniline is sourced from PubChem (CID 62431053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).