3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide

C15H18N2O2 — CID 61426369

IUPAC3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
SMILESCc1occc1CN(C)C(=O)c1cccc(CN)c1
InChIInChI=1S/C15H18N2O2/c1-11-14(6-7-19-11)10-17(2)15(18)13-5-3-4-12(8-13)9-16/h3-8H,9-10,16H2,1-2H3
InChIKeyJTOCNJYYTFBGEW-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.32
Rot. Bonds4

About 3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide

3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide (PubChem CID 61426369) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
PubChem CID61426369
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
SMILESCc1occc1CN(C)C(=O)c1cccc(CN)c1
InChIInChI=1S/C15H18N2O2/c1-11-14(6-7-19-11)10-17(2)15(18)13-5-3-4-12(8-13)9-16/h3-8H,9-10,16H2,1-2H3
InChIKeyJTOCNJYYTFBGEW-UHFFFAOYSA-N
XLogP2.32
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426906
4-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 115910403
4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 104782708
3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695114
4-bromo-3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 80976057
3-amino-4,5-dichloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426755
2-[2-(aminomethyl)phenyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 81322313
2-hydroxy-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61380836
4-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-nitrobenzamide
CID 122157865
N-[[2-(aminomethyl)phenyl]methyl]-N,3-dimethylbenzamide
CID 60923258
N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide
CID 43248673
[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]phenyl]methanamine
CID 61426662

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide (CID 61426369) is 3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide is Cc1occc1CN(C)C(=O)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
The InChIKey is JTOCNJYYTFBGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-14(6-7-19-11)10-17(2)15(18)13-5-3-4-12(8-13)9-16/h3-8H,9-10,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide has a molecular weight of 258.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide is sourced from PubChem (CID 61426369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).