2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide

C14H23N3O — CID 55002605

IUPAC2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide
SMILESCCCCN(CC(N)=O)Cc1ccccc1CN
InChIInChI=1S/C14H23N3O/c1-2-3-8-17(11-14(16)18)10-13-7-5-4-6-12(13)9-15/h4-7H,2-3,8-11,15H2,1H3,(H2,16,18)
InChIKeyZEULUYTUMDSRBV-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.23
Rot. Bonds8

About 2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide

2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide (PubChem CID 55002605) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide.

Molecular Properties

Compound Name2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide
PubChem CID55002605
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide
SMILESCCCCN(CC(N)=O)Cc1ccccc1CN
InChIInChI=1S/C14H23N3O/c1-2-3-8-17(11-14(16)18)10-13-7-5-4-6-12(13)9-15/h4-7H,2-3,8-11,15H2,1H3,(H2,16,18)
InChIKeyZEULUYTUMDSRBV-UHFFFAOYSA-N
XLogP1.23
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl-[(2-hydroxyphenyl)methyl]amino]acetamide
CID 82978056
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 107113368
2-[2-[(dibutylamino)methyl]phenyl]acetic acid
CID 115462548
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-butylamino]ethanol
CID 107113234
2-[(2-amino-4-chlorophenyl)methyl-butylamino]acetamide
CID 55037491
2-[2-(aminomethyl)phenyl]-N-butyl-N-ethylacetamide
CID 81317798
2-[butyl-[[4-(2-hydrazinyl-2-oxoethyl)phenyl]methyl]amino]acetamide
CID 105351844
2-[N-butyl-2-(hydroxymethyl)anilino]acetamide
CID 55003388
2-[(2-amino-6-chlorophenyl)methyl-butylamino]acetamide
CID 63747289
methyl 4-[[(2-amino-2-oxoethyl)-butylamino]methyl]-3-bromobenzoate
CID 102767418
2-[[(2-amino-2-oxoethyl)-butylamino]methyl]pyridine-3-carboxylic acid
CID 114198495
2-[[2-(aminomethyl)-4-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 63289211

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide?
The IUPAC name of 2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide (CID 55002605) is 2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide.
What is the SMILES notation for 2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide?
The canonical SMILES for 2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide is CCCCN(CC(N)=O)Cc1ccccc1CN.
What is the InChIKey of 2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide?
The InChIKey is ZEULUYTUMDSRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-3-8-17(11-14(16)18)10-13-7-5-4-6-12(13)9-15/h4-7H,2-3,8-11,15H2,1H3,(H2,16,18).
What are the key properties of 2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide?
2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide has a molecular weight of 249.36 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide is sourced from PubChem (CID 55002605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).