1-(3-amino-4-methylphenyl)-3-[benzyl(2-hydroxyethyl)amino]propan-1-one

C19H24N2O2 — CID 94723325

IUPAC1-(3-amino-4-methylphenyl)-3-[benzyl(2-hydroxyethyl)amino]propan-1-one
SMILESCc1ccc(C(=O)CCN(CCO)Cc2ccccc2)cc1N
InChIInChI=1S/C19H24N2O2/c1-15-7-8-17(13-18(15)20)19(23)9-10-21(11-12-22)14-16-5-3-2-4-6-16/h2-8,13,22H,9-12,14,20H2,1H3
InChIKeyIUJGEQJMIFLCII-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.64
Rot. Bonds8

About 1-(3-amino-4-methylphenyl)-3-[benzyl(2-hydroxyethyl)amino]propan-1-one

1-(3-amino-4-methylphenyl)-3-[benzyl(2-hydroxyethyl)amino]propan-1-one (PubChem CID 94723325) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)-3-[benzyl(2-hydroxyethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)-3-[benzyl(2-hydroxyethyl)amino]propan-1-one
PubChem CID94723325
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(3-amino-4-methylphenyl)-3-[benzyl(2-hydroxyethyl)amino]propan-1-one
SMILESCc1ccc(C(=O)CCN(CCO)Cc2ccccc2)cc1N
InChIInChI=1S/C19H24N2O2/c1-15-7-8-17(13-18(15)20)19(23)9-10-21(11-12-22)14-16-5-3-2-4-6-16/h2-8,13,22H,9-12,14,20H2,1H3
InChIKeyIUJGEQJMIFLCII-UHFFFAOYSA-N
XLogP2.64
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4-methylphenyl)-3-[benzyl(methyl)amino]propan-1-one
CID 82136060
3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one
CID 135021147
1-(3-amino-4-methylphenyl)-3-[bis(2-methoxyethyl)amino]propan-1-one
CID 82136049
3-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 43841843
3-(dibenzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride
CID 3064601
3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one
CID 62611924
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol
CID 158603014
1-(3-amino-4-methylphenyl)-3-[cyclohexyl(methyl)amino]propan-1-one
CID 82136057
1-(3-amino-4-methylphenyl)-2-(3,5-dimethylphenyl)ethanone
CID 116550862
3-amino-N-benzyl-4-methylbenzamide
CID 12607982
4-[[benzyl(2-hydroxyethyl)amino]methyl]-N-methylbenzamide
CID 111110287
1-[benzyl(2-hydroxyethyl)amino]propan-2-one
CID 20674857

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)-3-[benzyl(2-hydroxyethyl)amino]propan-1-one?
The IUPAC name of 1-(3-amino-4-methylphenyl)-3-[benzyl(2-hydroxyethyl)amino]propan-1-one (CID 94723325) is 1-(3-amino-4-methylphenyl)-3-[benzyl(2-hydroxyethyl)amino]propan-1-one.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)-3-[benzyl(2-hydroxyethyl)amino]propan-1-one?
The canonical SMILES for 1-(3-amino-4-methylphenyl)-3-[benzyl(2-hydroxyethyl)amino]propan-1-one is Cc1ccc(C(=O)CCN(CCO)Cc2ccccc2)cc1N.
What is the InChIKey of 1-(3-amino-4-methylphenyl)-3-[benzyl(2-hydroxyethyl)amino]propan-1-one?
The InChIKey is IUJGEQJMIFLCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15-7-8-17(13-18(15)20)19(23)9-10-21(11-12-22)14-16-5-3-2-4-6-16/h2-8,13,22H,9-12,14,20H2,1H3.
What are the key properties of 1-(3-amino-4-methylphenyl)-3-[benzyl(2-hydroxyethyl)amino]propan-1-one?
1-(3-amino-4-methylphenyl)-3-[benzyl(2-hydroxyethyl)amino]propan-1-one has a molecular weight of 312.41 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylphenyl)-3-[benzyl(2-hydroxyethyl)amino]propan-1-one is sourced from PubChem (CID 94723325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).