4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)aniline

C18H26N2O — CID 63060085

IUPAC4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)aniline
SMILESCCN(Cc1ccco1)c1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C18H26N2O/c1-5-20(14-17-7-6-12-21-17)16-10-8-15(9-11-16)13-19-18(2,3)4/h6-12,19H,5,13-14H2,1-4H3
InChIKeyBDZCHMUGRGWQQM-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.19
Rot. Bonds6

About 4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)aniline

4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)aniline (PubChem CID 63060085) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)aniline
PubChem CID63060085
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)aniline
SMILESCCN(Cc1ccco1)c1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C18H26N2O/c1-5-20(14-17-7-6-12-21-17)16-10-8-15(9-11-16)13-19-18(2,3)4/h6-12,19H,5,13-14H2,1-4H3
InChIKeyBDZCHMUGRGWQQM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-4-amine
CID 62288315
4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-2-amine
CID 62287774
4-[(tert-butylamino)methyl]-N,N-diethylaniline
CID 4719207
N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-ethylaniline
CID 62424681
4-[(tert-butylamino)methyl]-N-ethyl-N-propylaniline
CID 55147217
N,N-diethyl-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]aniline
CID 81403321
2-[4-[(tert-butylamino)methyl]-N-ethylanilino]acetamide
CID 103103191
4-[(tert-butylamino)methyl]-N-ethyl-N-propan-2-ylaniline
CID 63059473
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62288133
N-[[5-[[furan-2-ylmethyl(methyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62420058
2-chloro-N-ethyl-N-(furan-2-ylmethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 81146652

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)aniline?
The IUPAC name of 4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)aniline (CID 63060085) is 4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)aniline.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)aniline?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)aniline is CCN(Cc1ccco1)c1ccc(CNC(C)(C)C)cc1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)aniline?
The InChIKey is BDZCHMUGRGWQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-20(14-17-7-6-12-21-17)16-10-8-15(9-11-16)13-19-18(2,3)4/h6-12,19H,5,13-14H2,1-4H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)aniline?
4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)aniline 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 4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)aniline is sourced from PubChem (CID 63060085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).