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

C18H26N2O — CID 62121037

IUPAC4-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylaniline
SMILESCc1cc(CNC(C)(C)C)ccc1N(C)Cc1ccoc1
InChIInChI=1S/C18H26N2O/c1-14-10-15(11-19-18(2,3)4)6-7-17(14)20(5)12-16-8-9-21-13-16/h6-10,13,19H,11-12H2,1-5H3
InChIKeyQWQCVRHXSJMXTO-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.11
Rot. Bonds5

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

4-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylaniline (PubChem CID 62121037) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylaniline.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylaniline
PubChem CID62121037
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name4-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylaniline
SMILESCc1cc(CNC(C)(C)C)ccc1N(C)Cc1ccoc1
InChIInChI=1S/C18H26N2O/c1-14-10-15(11-19-18(2,3)4)6-7-17(14)20(5)12-16-8-9-21-13-16/h6-10,13,19H,11-12H2,1-5H3
InChIKeyQWQCVRHXSJMXTO-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_D(198)', 'substructure': 'N/A'}

Analyze 4-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-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 4-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylaniline?
The IUPAC name of 4-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylaniline (CID 62121037) is 4-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylaniline.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylaniline?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylaniline is Cc1cc(CNC(C)(C)C)ccc1N(C)Cc1ccoc1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylaniline?
The InChIKey is QWQCVRHXSJMXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-10-15(11-19-18(2,3)4)6-7-17(14)20(5)12-16-8-9-21-13-16/h6-10,13,19H,11-12H2,1-5H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylaniline?
4-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-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 4-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylaniline is sourced from PubChem (CID 62121037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).