N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)propanamide;hydrochloride

C18H23ClN2O2 — CID 119547439

IUPACN-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)propanamide;hydrochloride
SMILESCc1cccc(OC(C)C(=O)NCCc2ccc(N)cc2)c1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-13-4-3-5-17(12-13)22-14(2)18(21)20-11-10-15-6-8-16(19)9-7-15;/h3-9,12,14H,10-11,19H2,1-2H3,(H,20,21);1H
InChIKeyTYJPOBZVAINNBE-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.13
Rot. Bonds6

About N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)propanamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)propanamide;hydrochloride (PubChem CID 119547439) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)propanamide;hydrochloride
PubChem CID119547439
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)propanamide;hydrochloride
SMILESCc1cccc(OC(C)C(=O)NCCc2ccc(N)cc2)c1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-13-4-3-5-17(12-13)22-14(2)18(21)20-11-10-15-6-8-16(19)9-7-15;/h3-9,12,14H,10-11,19H2,1-2H3,(H,20,21);1H
InChIKeyTYJPOBZVAINNBE-UHFFFAOYSA-N
XLogP3.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-methylphenoxy)butanamide;hydrochloride
CID 119549172
N-[2-(4-aminophenyl)ethyl]-2-(4-chloro-3-methylphenoxy)propanamide
CID 119549010
2-(3-methylphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 16568221
N-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide
CID 119504615
N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide
CID 119625770
2-(3-methoxyphenoxy)-N-(2-phenylethyl)propanamide
CID 19203903
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 99132130
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(3-methylphenoxy)propanamide
CID 48586355
2-(3-methylphenoxy)propanehydrazide
CID 3021693
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 110909100
[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
CID 8737930
N-[2-(4-fluorophenyl)ethyl]-2-(3-iodophenoxy)propanamide
CID 112786440

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)propanamide;hydrochloride (CID 119547439) is N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)propanamide;hydrochloride is Cc1cccc(OC(C)C(=O)NCCc2ccc(N)cc2)c1.Cl.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)propanamide;hydrochloride?
The InChIKey is TYJPOBZVAINNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-13-4-3-5-17(12-13)22-14(2)18(21)20-11-10-15-6-8-16(19)9-7-15;/h3-9,12,14H,10-11,19H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)propanamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)propanamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119547439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).