4-[[2-aminoethyl(methyl)amino]methyl]-3-methylbenzamide

C12H19N3O — CID 114484817

IUPAC4-[[2-aminoethyl(methyl)amino]methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CN(C)CCN
InChIInChI=1S/C12H19N3O/c1-9-7-10(12(14)16)3-4-11(9)8-15(2)6-5-13/h3-4,7H,5-6,8,13H2,1-2H3,(H2,14,16)
InChIKeyFBBTXZJPBOSQLI-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.48
Rot. Bonds5

About 4-[[2-aminoethyl(methyl)amino]methyl]-3-methylbenzamide

4-[[2-aminoethyl(methyl)amino]methyl]-3-methylbenzamide (PubChem CID 114484817) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[[2-aminoethyl(methyl)amino]methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[[2-aminoethyl(methyl)amino]methyl]-3-methylbenzamide
PubChem CID114484817
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-[[2-aminoethyl(methyl)amino]methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CN(C)CCN
InChIInChI=1S/C12H19N3O/c1-9-7-10(12(14)16)3-4-11(9)8-15(2)6-5-13/h3-4,7H,5-6,8,13H2,1-2H3,(H2,14,16)
InChIKeyFBBTXZJPBOSQLI-UHFFFAOYSA-N
XLogP0.48
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(dimethylamino)methyl]-3-methylbenzamide
CID 130557552
4-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-3-methylbenzamide
CID 114484920
4-(2-aminoethoxymethyl)-3-methylbenzamide
CID 114484486
4-[[2-aminoethyl(methyl)amino]methyl]-3-methylbenzonitrile
CID 114484816
4-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylbenzenecarbothioamide
CID 107199866
4-[(4-carbamoyl-2-methylphenyl)methyl-propan-2-ylamino]butanoic acid
CID 114484567
4-[[3-(dimethylamino)propyl-methylamino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482608
4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzamide
CID 9045380
4-[[3-hydroxypropyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114230260
N'-hydroxy-4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114482519
2-[(4-carbamothioyl-2-methylphenyl)methyl-methylamino]-N-methylacetamide
CID 114481737
3-amino-4-[[methyl(pentyl)amino]methyl]benzamide
CID 43376020

Frequently Asked Questions

What is the IUPAC name of 4-[[2-aminoethyl(methyl)amino]methyl]-3-methylbenzamide?
The IUPAC name of 4-[[2-aminoethyl(methyl)amino]methyl]-3-methylbenzamide (CID 114484817) is 4-[[2-aminoethyl(methyl)amino]methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[[2-aminoethyl(methyl)amino]methyl]-3-methylbenzamide?
The canonical SMILES for 4-[[2-aminoethyl(methyl)amino]methyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1CN(C)CCN.
What is the InChIKey of 4-[[2-aminoethyl(methyl)amino]methyl]-3-methylbenzamide?
The InChIKey is FBBTXZJPBOSQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-7-10(12(14)16)3-4-11(9)8-15(2)6-5-13/h3-4,7H,5-6,8,13H2,1-2H3,(H2,14,16).
What are the key properties of 4-[[2-aminoethyl(methyl)amino]methyl]-3-methylbenzamide?
4-[[2-aminoethyl(methyl)amino]methyl]-3-methylbenzamide has a molecular weight of 221.30 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-aminoethyl(methyl)amino]methyl]-3-methylbenzamide is sourced from PubChem (CID 114484817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).