N-[2-(aminomethyl)phenyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide

C14H23N3O2 — CID 79380817

IUPACN-[2-(aminomethyl)phenyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1CN)CC(C)(C)O
InChIInChI=1S/C14H23N3O2/c1-14(2,19)10-17(3)9-13(18)16-12-7-5-4-6-11(12)8-15/h4-7,19H,8-10,15H2,1-3H3,(H,16,18)
InChIKeyWFSWBVGCHKXMJG-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.79
Rot. Bonds6

About N-[2-(aminomethyl)phenyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide

N-[2-(aminomethyl)phenyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide (PubChem CID 79380817) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
PubChem CID79380817
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[2-(aminomethyl)phenyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1CN)CC(C)(C)O
InChIInChI=1S/C14H23N3O2/c1-14(2,19)10-17(3)9-13(18)16-12-7-5-4-6-11(12)8-15/h4-7,19H,8-10,15H2,1-3H3,(H,16,18)
InChIKeyWFSWBVGCHKXMJG-UHFFFAOYSA-N
XLogP0.79
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)phenyl]-2-[ethyl(methyl)amino]acetamide
CID 43263109
N-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79380838
N-[2-(aminomethyl)phenyl]-2-[methyl(propyl)amino]acetamide
CID 43270948
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]acetamide
CID 43570704
N-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide
CID 79380266
N-[2-(aminomethyl)phenyl]-4,4-dimethylpentanamide
CID 114212815
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-iodophenyl)acetamide;hydrochloride
CID 119928883
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 18135262
N-(2-bromo-4-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78964436
N-[2-(aminomethyl)phenyl]carbamoyl chloride
CID 142823786
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 79651972
2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 9303583

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide (CID 79380817) is N-[2-(aminomethyl)phenyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide is CN(CC(=O)Nc1ccccc1CN)CC(C)(C)O.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide?
The InChIKey is WFSWBVGCHKXMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,19)10-17(3)9-13(18)16-12-7-5-4-6-11(12)8-15/h4-7,19H,8-10,15H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide?
N-[2-(aminomethyl)phenyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide is sourced from PubChem (CID 79380817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).