N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline

C15H20N2O — CID 62435677

IUPACN-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline
SMILESCc1cccc(N(C)Cc2cc(CN)oc2C)c1
InChIInChI=1S/C15H20N2O/c1-11-5-4-6-14(7-11)17(3)10-13-8-15(9-16)18-12(13)2/h4-8H,9-10,16H2,1-3H3
InChIKeyRKOFVUYPLIVWQS-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.99
Rot. Bonds4

About N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline

N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline (PubChem CID 62435677) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline
PubChem CID62435677
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline
SMILESCc1cccc(N(C)Cc2cc(CN)oc2C)c1
InChIInChI=1S/C15H20N2O/c1-11-5-4-6-14(7-11)17(3)10-13-8-15(9-16)18-12(13)2/h4-8H,9-10,16H2,1-3H3
InChIKeyRKOFVUYPLIVWQS-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-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline
CID 62434975
4-[(N,3-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide
CID 63585085
3-bromo-4-[(N,3-dimethylanilino)methyl]aniline
CID 62003155
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine
CID 62434217
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 55073646
N,3-dimethyl-N-[[2-(methylaminomethyl)phenyl]methyl]aniline
CID 62434976
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 62427968
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]aniline
CID 62437385
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,3-dimethylaniline;hydrochloride
CID 120750858
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 55069371
[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanamine
CID 62432735
N-methyl-N-[[2-methyl-5-[(2-methylpropylamino)methyl]furan-3-yl]methyl]aniline
CID 62437571

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline?
The IUPAC name of N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline (CID 62435677) is N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline.
What is the SMILES notation for N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline?
The canonical SMILES for N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline is Cc1cccc(N(C)Cc2cc(CN)oc2C)c1.
What is the InChIKey of N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline?
The InChIKey is RKOFVUYPLIVWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-5-4-6-14(7-11)17(3)10-13-8-15(9-16)18-12(13)2/h4-8H,9-10,16H2,1-3H3.
What are the key properties of N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline?
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline 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-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline is sourced from PubChem (CID 62435677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).