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'}

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Related Compounds

5-[(tert-butylamino)methyl]-N-(furan-3-ylmethyl)-N,2-dimethylpyridin-4-amine
CID 81249115
4-[(tert-butylamino)methyl]-N,2-dimethyl-N-propylaniline
CID 62120667
2-fluoro-N-(furan-3-ylmethyl)-N-methyl-4-(methylaminomethyl)aniline
CID 61422400
4-[(tert-butylamino)methyl]-N,2-dimethyl-N-(3-methylbutyl)aniline
CID 63550606
4-[(tert-butylamino)methyl]-N,2-dimethyl-N-(2-methylsulfonylethyl)aniline
CID 79843635
N-[[5-[[furan-3-ylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62461132
4-[(tert-butylamino)methyl]-N,2-dimethyl-N-pentan-2-ylaniline
CID 63550593
2-fluoro-N-(furan-3-ylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63060260
N-(furan-3-ylmethyl)-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80630765
2-[4-[(tert-butylamino)methyl]-N-ethyl-2-methylanilino]-N-methylacetamide
CID 62120854
4-[(tert-butylamino)methyl]-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 62123132
4-[(tert-butylamino)methyl]-2-chloro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 81146499

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).