N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide

C14H22N2O — CID 43459253

IUPACN-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide
SMILESCCC(C)C(=O)N(CC)Cc1ccccc1N
InChIInChI=1S/C14H22N2O/c1-4-11(3)14(17)16(5-2)10-12-8-6-7-9-13(12)15/h6-9,11H,4-5,10,15H2,1-3H3
InChIKeyVMIOKUJNWVKFQC-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.66
Rot. Bonds5

About N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide

N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide (PubChem CID 43459253) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide
PubChem CID43459253
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide
SMILESCCC(C)C(=O)N(CC)Cc1ccccc1N
InChIInChI=1S/C14H22N2O/c1-4-11(3)14(17)16(5-2)10-12-8-6-7-9-13(12)15/h6-9,11H,4-5,10,15H2,1-3H3
InChIKeyVMIOKUJNWVKFQC-UHFFFAOYSA-N
XLogP2.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-aminophenyl)methyl-ethylamino]-N,N-diethylpropanamide
CID 43459417
N-[[2-(aminomethyl)phenyl]methyl]-N,2-diethylbutanamide
CID 54939690
N-[(2-aminophenyl)methyl]-3-ethoxy-N-ethylpropanamide
CID 62589527
N-[(2-aminophenyl)methyl]-N-ethylheptanamide
CID 114751955
N-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide
CID 43459287
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 78973445
N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide
CID 43460336
N-ethyl-2-methyl-N-(2-phenylethyl)butanamide
CID 78853488
2-[(2-aminophenyl)methyl-propan-2-ylamino]butanamide
CID 62899492
N-ethyl-2-methyl-3-(methylamino)-N-[(2-methylphenyl)methyl]propanamide;hydrochloride
CID 119722155
2-[[ethyl(pentan-2-yl)amino]methyl]aniline
CID 107891825

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide (CID 43459253) is N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide is CCC(C)C(=O)N(CC)Cc1ccccc1N.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide?
The InChIKey is VMIOKUJNWVKFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-11(3)14(17)16(5-2)10-12-8-6-7-9-13(12)15/h6-9,11H,4-5,10,15H2,1-3H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide?
N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide has a molecular weight of 234.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide is sourced from PubChem (CID 43459253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).