N-ethyl-3-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline

C18H26N2O — CID 62428170

IUPACN-ethyl-3-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
SMILESCCN(Cc1cc(CNC(C)C)co1)c1cccc(C)c1
InChIInChI=1S/C18H26N2O/c1-5-20(17-8-6-7-15(4)9-17)12-18-10-16(13-21-18)11-19-14(2)3/h6-10,13-14,19H,5,11-12H2,1-4H3
InChIKeyFJYXOMPXHMVGJD-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.11
Rot. Bonds7

About N-ethyl-3-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline

N-ethyl-3-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline (PubChem CID 62428170) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
PubChem CID62428170
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-ethyl-3-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
SMILESCCN(Cc1cc(CNC(C)C)co1)c1cccc(C)c1
InChIInChI=1S/C18H26N2O/c1-5-20(17-8-6-7-15(4)9-17)12-18-10-16(13-21-18)11-19-14(2)3/h6-10,13-14,19H,5,11-12H2,1-4H3
InChIKeyFJYXOMPXHMVGJD-UHFFFAOYSA-N
XLogP4.11
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

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Related Compounds

N-[[5-[[benzyl(ethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62418480
N,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62436032
N'-ethyl-N'-(3-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 20811771
N-ethyl-3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 63550784
N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-ethylaniline
CID 62424681
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 79481155
N,2-dimethyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]propan-1-amine
CID 62420162
N-ethyl-N-(furan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62288133
N-[[5-[(2,4-dimethylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62454677
4-[(N-ethyl-3-methylanilino)methyl]phenol
CID 82973646
N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61077133

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline?
The IUPAC name of N-ethyl-3-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline (CID 62428170) is N-ethyl-3-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline.
What is the SMILES notation for N-ethyl-3-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline?
The canonical SMILES for N-ethyl-3-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline is CCN(Cc1cc(CNC(C)C)co1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-3-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline?
The InChIKey is FJYXOMPXHMVGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-20(17-8-6-7-15(4)9-17)12-18-10-16(13-21-18)11-19-14(2)3/h6-10,13-14,19H,5,11-12H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline?
N-ethyl-3-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline has a molecular weight of 286.42 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline is sourced from PubChem (CID 62428170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).