N-[[3-(aminomethyl)furan-2-yl]methyl]-N,3,5-trimethylaniline

C15H20N2O — CID 62461981

IUPACN-[[3-(aminomethyl)furan-2-yl]methyl]-N,3,5-trimethylaniline
SMILESCc1cc(C)cc(N(C)Cc2occc2CN)c1
InChIInChI=1S/C15H20N2O/c1-11-6-12(2)8-14(7-11)17(3)10-15-13(9-16)4-5-18-15/h4-8H,9-10,16H2,1-3H3
InChIKeyVLWCOCNEFSFSEI-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.99
Rot. Bonds4

About N-[[3-(aminomethyl)furan-2-yl]methyl]-N,3,5-trimethylaniline

N-[[3-(aminomethyl)furan-2-yl]methyl]-N,3,5-trimethylaniline (PubChem CID 62461981) 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,3,5-trimethylaniline.

Molecular Properties

Compound NameN-[[3-(aminomethyl)furan-2-yl]methyl]-N,3,5-trimethylaniline
PubChem CID62461981
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[[3-(aminomethyl)furan-2-yl]methyl]-N,3,5-trimethylaniline
SMILESCc1cc(C)cc(N(C)Cc2occc2CN)c1
InChIInChI=1S/C15H20N2O/c1-11-6-12(2)8-14(7-11)17(3)10-15-13(9-16)4-5-18-15/h4-8H,9-10,16H2,1-3H3
InChIKeyVLWCOCNEFSFSEI-UHFFFAOYSA-N
XLogP2.99
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(aminomethyl)furan-2-yl]methyl]-3-fluoro-N-methylaniline
CID 62435492
N,3,5-trimethyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]aniline
CID 62462156
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-3-methylaniline
CID 62426756
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-4-methylaniline
CID 62435508
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylbutan-2-amine
CID 62419080
N-[[3-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine
CID 62422966
N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,3-dimethylaniline
CID 62436029
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylcyclopentanamine
CID 62419086
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,3,5-trimethylaniline
CID 106785440
N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]furan-2-yl]methyl]aniline
CID 62431569
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,3,5-trimethylaniline
CID 62018373
N-[[3-(aminomethyl)furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62424649

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)furan-2-yl]methyl]-N,3,5-trimethylaniline?
The IUPAC name of N-[[3-(aminomethyl)furan-2-yl]methyl]-N,3,5-trimethylaniline (CID 62461981) is N-[[3-(aminomethyl)furan-2-yl]methyl]-N,3,5-trimethylaniline.
What is the SMILES notation for N-[[3-(aminomethyl)furan-2-yl]methyl]-N,3,5-trimethylaniline?
The canonical SMILES for N-[[3-(aminomethyl)furan-2-yl]methyl]-N,3,5-trimethylaniline is Cc1cc(C)cc(N(C)Cc2occc2CN)c1.
What is the InChIKey of N-[[3-(aminomethyl)furan-2-yl]methyl]-N,3,5-trimethylaniline?
The InChIKey is VLWCOCNEFSFSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-6-12(2)8-14(7-11)17(3)10-15-13(9-16)4-5-18-15/h4-8H,9-10,16H2,1-3H3.
What are the key properties of N-[[3-(aminomethyl)furan-2-yl]methyl]-N,3,5-trimethylaniline?
N-[[3-(aminomethyl)furan-2-yl]methyl]-N,3,5-trimethylaniline has a molecular weight of 244.34 g/mol, XLogP of 2.99, 4 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,3,5-trimethylaniline is sourced from PubChem (CID 62461981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).