N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride

C12H19ClN2O2 — CID 119383063

IUPACN-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride
SMILESCOc1cc(CC(=O)NCCN)ccc1C.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-9-3-4-10(7-11(9)16-2)8-12(15)14-6-5-13;/h3-4,7H,5-6,8,13H2,1-2H3,(H,14,15);1H
InChIKeyCUDFDNLZTLQXHK-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.04
Rot. Bonds5

About N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride

N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride (PubChem CID 119383063) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride
PubChem CID119383063
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC NameN-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride
SMILESCOc1cc(CC(=O)NCCN)ccc1C.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-9-3-4-10(7-11(9)16-2)8-12(15)14-6-5-13;/h3-4,7H,5-6,8,13H2,1-2H3,(H,14,15);1H
InChIKeyCUDFDNLZTLQXHK-UHFFFAOYSA-N
XLogP1.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]acetamide
CID 119326320
N-(2-aminoethyl)-2-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 98016358
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
7-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]heptanamide;hydrochloride
CID 119788188
methyl 2-hydroxy-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoate
CID 103879287
N-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide
CID 110832932
N-(2-hydroxypropyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 43394122
3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 56813750
2-(3-methoxy-4-methylphenyl)-N-[2-(methylamino)propyl]acetamide
CID 120827889
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]acetamide
CID 108575203
N-[3-(dimethylamino)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 95970771
N-(2-aminoethyl)-2-(3-bromo-4-fluorophenyl)acetamide;hydrochloride
CID 119384307

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride (CID 119383063) is N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride is COc1cc(CC(=O)NCCN)ccc1C.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride?
The InChIKey is CUDFDNLZTLQXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.ClH/c1-9-3-4-10(7-11(9)16-2)8-12(15)14-6-5-13;/h3-4,7H,5-6,8,13H2,1-2H3,(H,14,15);1H.
What are the key properties of N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride?
N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119383063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).