2-[(2-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide

C15H25N3O — CID 43459354

IUPAC2-[(2-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide
SMILESCCN(CC(=O)NCC(C)C)Cc1ccccc1N
InChIInChI=1S/C15H25N3O/c1-4-18(11-15(19)17-9-12(2)3)10-13-7-5-6-8-14(13)16/h5-8,12H,4,9-11,16H2,1-3H3,(H,17,19)
InChIKeyJJMTZJKUZQAPHU-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.86
Rot. Bonds7

About 2-[(2-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide

2-[(2-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide (PubChem CID 43459354) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide
PubChem CID43459354
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[(2-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide
SMILESCCN(CC(=O)NCC(C)C)Cc1ccccc1N
InChIInChI=1S/C15H25N3O/c1-4-18(11-15(19)17-9-12(2)3)10-13-7-5-6-8-14(13)16/h5-8,12H,4,9-11,16H2,1-3H3,(H,17,19)
InChIKeyJJMTZJKUZQAPHU-UHFFFAOYSA-N
XLogP1.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Lidocaine
CID 3676
Prilocaine
CID 4906
Monoethylglycinexylidide
CID 24415
Tocainide
CID 38945
Prilocaine Hydrochloride
CID 92163
Lidocaine Hydrochloride
CID 6314
Etidocaine
CID 37497
Lidocaine hydrochloride monohydrate
CID 16219577
Glycine xylidide
CID 87833
Cvt-2738
CID 2608606
2-((2,6-Dimethylphenyl)amino)-N,N,N-triethyl-2-oxoethanaminium
CID 3925
Trimecaine
CID 12028

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide (CID 43459354) is 2-[(2-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide is CCN(CC(=O)NCC(C)C)Cc1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is JJMTZJKUZQAPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-18(11-15(19)17-9-12(2)3)10-13-7-5-6-8-14(13)16/h5-8,12H,4,9-11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[(2-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide?
2-[(2-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 263.38 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 43459354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).