N-[2-(aminomethyl)phenyl]-3-[furan-3-ylmethyl(methyl)amino]propanamide

C16H21N3O2 — CID 61421437

IUPACN-[2-(aminomethyl)phenyl]-3-[furan-3-ylmethyl(methyl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccccc1CN)Cc1ccoc1
InChIInChI=1S/C16H21N3O2/c1-19(11-13-7-9-21-12-13)8-6-16(20)18-15-5-3-2-4-14(15)10-17/h2-5,7,9,12H,6,8,10-11,17H2,1H3,(H,18,20)
InChIKeyUYGIIMOQZXXBHH-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.20
Rot. Bonds7

About N-[2-(aminomethyl)phenyl]-3-[furan-3-ylmethyl(methyl)amino]propanamide

N-[2-(aminomethyl)phenyl]-3-[furan-3-ylmethyl(methyl)amino]propanamide (PubChem CID 61421437) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-3-[furan-3-ylmethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-3-[furan-3-ylmethyl(methyl)amino]propanamide
PubChem CID61421437
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[2-(aminomethyl)phenyl]-3-[furan-3-ylmethyl(methyl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccccc1CN)Cc1ccoc1
InChIInChI=1S/C16H21N3O2/c1-19(11-13-7-9-21-12-13)8-6-16(20)18-15-5-3-2-4-14(15)10-17/h2-5,7,9,12H,6,8,10-11,17H2,1H3,(H,18,20)
InChIKeyUYGIIMOQZXXBHH-UHFFFAOYSA-N
XLogP2.20
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)phenyl]-4-[methyl(pentyl)amino]butanamide
CID 43294538
N-[2-(aminomethyl)phenyl]-2-[ethyl(methyl)amino]acetamide
CID 43263109
N-[2-(aminomethyl)phenyl]-2-[methyl(propyl)amino]acetamide
CID 43270948
N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide
CID 114212815
N-[2-(aminomethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 63753752
N-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 24588973
N-(2-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 55089307
N-[2-(aminomethyl)phenyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 79380817
N-(4-amino-2-chlorophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide
CID 61421626
4-[[[3-(2-methoxyanilino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide
CID 37215281
N-[2-(aminomethyl)phenyl]-N'-hydroxyoctanediamide
CID 143322146
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]acetamide
CID 43570704

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-3-[furan-3-ylmethyl(methyl)amino]propanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-3-[furan-3-ylmethyl(methyl)amino]propanamide (CID 61421437) is N-[2-(aminomethyl)phenyl]-3-[furan-3-ylmethyl(methyl)amino]propanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-3-[furan-3-ylmethyl(methyl)amino]propanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-3-[furan-3-ylmethyl(methyl)amino]propanamide is CN(CCC(=O)Nc1ccccc1CN)Cc1ccoc1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-3-[furan-3-ylmethyl(methyl)amino]propanamide?
The InChIKey is UYGIIMOQZXXBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19(11-13-7-9-21-12-13)8-6-16(20)18-15-5-3-2-4-14(15)10-17/h2-5,7,9,12H,6,8,10-11,17H2,1H3,(H,18,20).
What are the key properties of N-[2-(aminomethyl)phenyl]-3-[furan-3-ylmethyl(methyl)amino]propanamide?
N-[2-(aminomethyl)phenyl]-3-[furan-3-ylmethyl(methyl)amino]propanamide has a molecular weight of 287.36 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-3-[furan-3-ylmethyl(methyl)amino]propanamide is sourced from PubChem (CID 61421437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).