N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-3-methylaniline

C15H20N2O — CID 62426756

IUPACN-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-3-methylaniline
SMILESCCN(Cc1occc1CN)c1cccc(C)c1
InChIInChI=1S/C15H20N2O/c1-3-17(14-6-4-5-12(2)9-14)11-15-13(10-16)7-8-18-15/h4-9H,3,10-11,16H2,1-2H3
InChIKeyDUTXLROENFRLTR-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.07
Rot. Bonds5

About N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-3-methylaniline

N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-3-methylaniline (PubChem CID 62426756) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-3-methylaniline.

Molecular Properties

Compound NameN-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-3-methylaniline
PubChem CID62426756
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-3-methylaniline
SMILESCCN(Cc1occc1CN)c1cccc(C)c1
InChIInChI=1S/C15H20N2O/c1-3-17(14-6-4-5-12(2)9-14)11-15-13(10-16)7-8-18-15/h4-9H,3,10-11,16H2,1-2H3
InChIKeyDUTXLROENFRLTR-UHFFFAOYSA-N
XLogP3.07
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-4-methylaniline
CID 62435508
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-4-fluoroaniline
CID 62430374
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-fluoroaniline
CID 62431448
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethylnaphthalen-1-amine
CID 62424402
N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-N-ethyl-3-methylaniline
CID 62426937
N-[[3-(aminomethyl)furan-2-yl]methyl]-N,3,5-trimethylaniline
CID 62461981
N-[[3-(aminomethyl)furan-2-yl]methyl]-3-fluoro-N-methylaniline
CID 62435492
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethyl-3-methylaniline
CID 62427811
2-[(N-ethyl-3-methylanilino)methyl]-4-fluoroaniline
CID 61076053
3-[(N-ethyl-3-methylanilino)methyl]-4-methylaniline
CID 82131996
4-[(N-ethyl-3-methylanilino)methyl]-2,6-dimethylphenol
CID 82981488

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-3-methylaniline?
The IUPAC name of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-3-methylaniline (CID 62426756) is N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-3-methylaniline.
What is the SMILES notation for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-3-methylaniline?
The canonical SMILES for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-3-methylaniline is CCN(Cc1occc1CN)c1cccc(C)c1.
What is the InChIKey of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-3-methylaniline?
The InChIKey is DUTXLROENFRLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-17(14-6-4-5-12(2)9-14)11-15-13(10-16)7-8-18-15/h4-9H,3,10-11,16H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-3-methylaniline?
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-3-methylaniline has a molecular weight of 244.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-3-methylaniline is sourced from PubChem (CID 62426756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).