2-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylpentanamide

C15H24N2O2 — CID 106954435

IUPAC2-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylpentanamide
SMILESCc1cc(NC(=O)C(CN)CC(C)C)c(C)cc1O
InChIInChI=1S/C15H24N2O2/c1-9(2)5-12(8-16)15(19)17-13-6-11(4)14(18)7-10(13)3/h6-7,9,12,18H,5,8,16H2,1-4H3,(H,17,19)
InChIKeyVAJRWDHATUIEDF-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.57
Rot. Bonds5

About 2-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylpentanamide

2-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylpentanamide (PubChem CID 106954435) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylpentanamide
PubChem CID106954435
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylpentanamide
SMILESCc1cc(NC(=O)C(CN)CC(C)C)c(C)cc1O
InChIInChI=1S/C15H24N2O2/c1-9(2)5-12(8-16)15(19)17-13-6-11(4)14(18)7-10(13)3/h6-7,9,12,18H,5,8,16H2,1-4H3,(H,17,19)
InChIKeyVAJRWDHATUIEDF-UHFFFAOYSA-N
XLogP2.57
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide
CID 104618932
2-(2-aminoethyl)-N-(2,4-dimethylphenyl)-4-methylpentanamide
CID 112516992
2-(aminomethyl)-4-methyl-N-(5-methyl-2-nitrophenyl)pentanamide
CID 115912619
2-(aminomethyl)-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide
CID 81264280
4-(1-aminopropan-2-ylamino)-2,5-dimethylphenol
CID 106954059
N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylpropanamide
CID 106834835
4-amino-N-(4-hydroxy-2,5-dimethylphenyl)butanamide
CID 106954356
4-(2-aminoethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylhexanamide
CID 106954386
N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylbutanamide
CID 106834917
N-(4-hydroxy-2,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 106834635
2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide
CID 65228312
1-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 106954286

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylpentanamide (CID 106954435) is 2-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylpentanamide is Cc1cc(NC(=O)C(CN)CC(C)C)c(C)cc1O.
What is the InChIKey of 2-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylpentanamide?
The InChIKey is VAJRWDHATUIEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-9(2)5-12(8-16)15(19)17-13-6-11(4)14(18)7-10(13)3/h6-7,9,12,18H,5,8,16H2,1-4H3,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylpentanamide?
2-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylpentanamide has a molecular weight of 264.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylpentanamide is sourced from PubChem (CID 106954435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).