N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-4-methoxy-N-methylaniline

C16H22N2O2 — CID 62435038

IUPACN-[[3-(ethylaminomethyl)furan-2-yl]methyl]-4-methoxy-N-methylaniline
SMILESCCNCc1ccoc1CN(C)c1ccc(OC)cc1
InChIInChI=1S/C16H22N2O2/c1-4-17-11-13-9-10-20-16(13)12-18(2)14-5-7-15(19-3)8-6-14/h5-10,17H,4,11-12H2,1-3H3
InChIKeyCPZQILDUSJZVGY-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.03
Rot. Bonds7

About N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-4-methoxy-N-methylaniline

N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-4-methoxy-N-methylaniline (PubChem CID 62435038) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-4-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[[3-(ethylaminomethyl)furan-2-yl]methyl]-4-methoxy-N-methylaniline
PubChem CID62435038
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[[3-(ethylaminomethyl)furan-2-yl]methyl]-4-methoxy-N-methylaniline
SMILESCCNCc1ccoc1CN(C)c1ccc(OC)cc1
InChIInChI=1S/C16H22N2O2/c1-4-17-11-13-9-10-20-16(13)12-18(2)14-5-7-15(19-3)8-6-14/h5-10,17H,4,11-12H2,1-3H3
InChIKeyCPZQILDUSJZVGY-UHFFFAOYSA-N
XLogP3.03
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62434588
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,2,4-trimethylaniline
CID 62436909
4-fluoro-N-methyl-N-[[3-[(2-methylpropylamino)methyl]furan-2-yl]methyl]aniline
CID 62435869
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methylcyclopentanamine
CID 62417583
N-[[2-[[(4-fluorophenyl)methyl-methylamino]methyl]furan-3-yl]methyl]ethanamine
CID 62413581
N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
CID 62431569
N'-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62428599
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-methyloxolan-3-amine
CID 82753990
N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-3-fluoro-N-methylaniline
CID 62435493
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62463764
N-[[3-(diethylaminomethyl)furan-2-yl]methyl]ethanamine
CID 62438666
4-methoxy-2-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978580

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-4-methoxy-N-methylaniline?
The IUPAC name of N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-4-methoxy-N-methylaniline (CID 62435038) is N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-4-methoxy-N-methylaniline.
What is the SMILES notation for N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-4-methoxy-N-methylaniline?
The canonical SMILES for N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-4-methoxy-N-methylaniline is CCNCc1ccoc1CN(C)c1ccc(OC)cc1.
What is the InChIKey of N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-4-methoxy-N-methylaniline?
The InChIKey is CPZQILDUSJZVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-17-11-13-9-10-20-16(13)12-18(2)14-5-7-15(19-3)8-6-14/h5-10,17H,4,11-12H2,1-3H3.
What are the key properties of N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-4-methoxy-N-methylaniline?
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-4-methoxy-N-methylaniline has a molecular weight of 274.36 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-4-methoxy-N-methylaniline is sourced from PubChem (CID 62435038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).