N-[(2-aminophenyl)methyl]-2,2-dimethylbutanamide

C13H20N2O — CID 62679521

IUPACN-[(2-aminophenyl)methyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCc1ccccc1N
InChIInChI=1S/C13H20N2O/c1-4-13(2,3)12(16)15-9-10-7-5-6-8-11(10)14/h5-8H,4,9,14H2,1-3H3,(H,15,16)
InChIKeyCILKHPJMMFZNKU-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.32
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-2,2-dimethylbutanamide

N-[(2-aminophenyl)methyl]-2,2-dimethylbutanamide (PubChem CID 62679521) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2,2-dimethylbutanamide
PubChem CID62679521
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[(2-aminophenyl)methyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NCc1ccccc1N
InChIInChI=1S/C13H20N2O/c1-4-13(2,3)12(16)15-9-10-7-5-6-8-11(10)14/h5-8H,4,9,14H2,1-3H3,(H,15,16)
InChIKeyCILKHPJMMFZNKU-UHFFFAOYSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.32
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-[(2-aminophenyl)methyl]-2-oxopropanamide
CID 110478407
3-[(2-aminophenyl)methyl]-1,1-diethylurea
CID 79153335
2-(2-aminophenyl)-N-(3-methylpentan-3-yl)acetamide
CID 113315023
2-ethylaniline;propane
CID 143529464
2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide
CID 79796852
2-(aminomethyl)-N-[(2-ethylphenyl)methyl]-2-methylbutanamide
CID 114290774
2-(aminomethyl)aniline;tert-butyl N-[(2-aminophenyl)methyl]carbamate
CID 159590689
methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate
CID 16773515
1-[(2-aminophenyl)methyl]-3-propan-2-ylurea
CID 4145188
3-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2,2-dimethylpropanamide
CID 81490013
2-amino-N-[(2-fluorophenyl)methyl]-2-methylbutanamide
CID 79796502
N-[2-(aminomethyl)phenyl]-2,2-dimethylbutanamide
CID 63756106

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-2,2-dimethylbutanamide (CID 62679521) is N-[(2-aminophenyl)methyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NCc1ccccc1N.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2,2-dimethylbutanamide?
The InChIKey is CILKHPJMMFZNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-13(2,3)12(16)15-9-10-7-5-6-8-11(10)14/h5-8H,4,9,14H2,1-3H3,(H,15,16).
What are the key properties of N-[(2-aminophenyl)methyl]-2,2-dimethylbutanamide?
N-[(2-aminophenyl)methyl]-2,2-dimethylbutanamide has a molecular weight of 220.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 62679521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).