4-(ethylaminomethyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline

C17H24N2O — CID 62121534

IUPAC4-(ethylaminomethyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline
SMILESCCNCc1ccc(N(C)Cc2ccc(C)o2)c(C)c1
InChIInChI=1S/C17H24N2O/c1-5-18-11-15-7-9-17(13(2)10-15)19(4)12-16-8-6-14(3)20-16/h6-10,18H,5,11-12H2,1-4H3
InChIKeyQURAAZHODWYFRC-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.64
Rot. Bonds6

About 4-(ethylaminomethyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline

4-(ethylaminomethyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline (PubChem CID 62121534) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline
PubChem CID62121534
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-(ethylaminomethyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline
SMILESCCNCc1ccc(N(C)Cc2ccc(C)o2)c(C)c1
InChIInChI=1S/C17H24N2O/c1-5-18-11-15-7-9-17(13(2)10-15)19(4)12-16-8-6-14(3)20-16/h6-10,18H,5,11-12H2,1-4H3
InChIKeyQURAAZHODWYFRC-UHFFFAOYSA-N
XLogP3.64
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.64
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

N-[[4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]phenyl]methyl]ethanamine
CID 62422093
N-(2,2-dimethylpropyl)-4-(ethylaminomethyl)-N,2-dimethylaniline
CID 62122953
N-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 62121867
N,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide
CID 62124186
N,2,4-trimethyl-N-[[5-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62436005
2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline
CID 81149232
N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline
CID 62121015
N-[[4-(ethylaminomethyl)phenyl]methyl]-N,2-dimethylaniline
CID 62435259
N-ethyl-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 62119969
5-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde
CID 114054145
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propylaminomethyl)aniline
CID 43526465
4-(2-aminobutyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 81159206

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline?
The IUPAC name of 4-(ethylaminomethyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline (CID 62121534) is 4-(ethylaminomethyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline.
What is the SMILES notation for 4-(ethylaminomethyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline?
The canonical SMILES for 4-(ethylaminomethyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline is CCNCc1ccc(N(C)Cc2ccc(C)o2)c(C)c1.
What is the InChIKey of 4-(ethylaminomethyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline?
The InChIKey is QURAAZHODWYFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-5-18-11-15-7-9-17(13(2)10-15)19(4)12-16-8-6-14(3)20-16/h6-10,18H,5,11-12H2,1-4H3.
What are the key properties of 4-(ethylaminomethyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline?
4-(ethylaminomethyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline has a molecular weight of 272.39 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]aniline is sourced from PubChem (CID 62121534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).