N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride

C13H21ClN2O — CID 119547405

IUPACN-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride
SMILESCCC(C)C(=O)NCCc1ccc(N)cc1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-3-10(2)13(16)15-9-8-11-4-6-12(14)7-5-11;/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16);1H
InChIKeyQXYXPHZIRFBDRZ-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.40
Rot. Bonds5

About N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride (PubChem CID 119547405) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride
PubChem CID119547405
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride
SMILESCCC(C)C(=O)NCCc1ccc(N)cc1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-3-10(2)13(16)15-9-8-11-4-6-12(14)7-5-11;/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16);1H
InChIKeyQXYXPHZIRFBDRZ-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-2-methylpentanamide
CID 61218501
4-[2-(2-methylbutanoylamino)ethyl]benzoic acid
CID 43665707
(2S)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylbutanamide
CID 94018114
2-methyl-N-[2-(4-phenoxyphenyl)ethyl]butanamide
CID 126657315
N-[1-[2-(4-aminophenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119548107
N-[2-(4-aminophenyl)ethyl]-2-(cyclopentylmethyl)butanamide;hydrochloride
CID 119547626
N-[2-(4-aminophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119549524
N-[2-(4-aminophenyl)ethyl]-2,2,2-trifluoroacetamide;hydrochloride
CID 22906098
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119263958
N-[2-(4-aminophenyl)ethyl]-2,2,4-trimethylpentanamide;hydrochloride
CID 119548327
N-[2-(4-aminophenyl)ethyl]-2-[(2-bromophenyl)methyl]butanamide;hydrochloride
CID 119548358
N-[2-(4-aminophenyl)ethyl]-2-oxopropanamide
CID 110478416

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride (CID 119547405) is N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride is CCC(C)C(=O)NCCc1ccc(N)cc1.Cl.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride?
The InChIKey is QXYXPHZIRFBDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-3-10(2)13(16)15-9-8-11-4-6-12(14)7-5-11;/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride is sourced from PubChem (CID 119547405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).