N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide

C12H18N2O — CID 43297755

IUPACN-[1-(2-aminophenyl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)c1ccccc1N
InChIInChI=1S/C12H18N2O/c1-8(2)12(15)14-9(3)10-6-4-5-7-11(10)13/h4-9H,13H2,1-3H3,(H,14,15)
InChIKeyCYFODNIDLAWOMW-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.10
Rot. Bonds3

About N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide

N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide (PubChem CID 43297755) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)ethyl]-2-methylpropanamide
PubChem CID43297755
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[1-(2-aminophenyl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(C)c1ccccc1N
InChIInChI=1S/C12H18N2O/c1-8(2)12(15)14-9(3)10-6-4-5-7-11(10)13/h4-9H,13H2,1-3H3,(H,14,15)
InChIKeyCYFODNIDLAWOMW-UHFFFAOYSA-N
XLogP2.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-aminophenyl)ethyl]propanamide
CID 43297760
3-[(1R)-1-(2-aminophenyl)ethyl]-1,1-dimethylurea
CID 40601139
N-[1-(2-aminophenyl)ethyl]-4-hydroxybenzamide
CID 43297837
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide
CID 43297799
N-[1-(2-aminophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 43297869
1-[1-(2-aminophenyl)ethyl]-3-cyclopropylurea
CID 62699291
N-[1-(2-aminophenyl)ethyl]cyclopentanecarboxamide
CID 43297876
N-[1-(2-aminophenyl)ethyl]-5-chloro-2-methylbenzamide
CID 82880208
1-[1-(2-aminophenyl)ethyl]-3-(4-methylphenyl)urea
CID 43437708
1-[1-(2-aminophenyl)ethyl]-3-(4-chlorophenyl)urea
CID 43298111
N-[1-(2-aminophenyl)ethyl]-2-phenoxyacetamide
CID 43297835
N-[1-(2-aminophenyl)ethyl]pyridine-3-carboxamide
CID 43297891

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide (CID 43297755) is N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide is CC(C)C(=O)NC(C)c1ccccc1N.
What is the InChIKey of N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide?
The InChIKey is CYFODNIDLAWOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8(2)12(15)14-9(3)10-6-4-5-7-11(10)13/h4-9H,13H2,1-3H3,(H,14,15).
What are the key properties of N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide?
N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide has a molecular weight of 206.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 43297755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).