2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide

C13H20N2O2 — CID 65228312

IUPAC2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1ccc(O)cc1C
InChIInChI=1S/C13H20N2O2/c1-3-4-10(8-14)13(17)15-12-6-5-11(16)7-9(12)2/h5-7,10,16H,3-4,8,14H2,1-2H3,(H,15,17)
InChIKeyDPBZLKWJCSBWMQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.01
Rot. Bonds5

About 2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide

2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide (PubChem CID 65228312) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide
PubChem CID65228312
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1ccc(O)cc1C
InChIInChI=1S/C13H20N2O2/c1-3-4-10(8-14)13(17)15-12-6-5-11(16)7-9(12)2/h5-7,10,16H,3-4,8,14H2,1-2H3,(H,15,17)
InChIKeyDPBZLKWJCSBWMQ-UHFFFAOYSA-N
XLogP2.01
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.01
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)-N-(4-chloro-2-methylphenyl)pentanamide
CID 65225535
4-[2-(aminomethyl)pentanoylamino]-N-ethyl-3-methylbenzamide
CID 65229718
5-amino-N-(4-hydroxy-2-methylphenyl)-2-methylpentanamide
CID 104685172
5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide
CID 82689437
2-(aminomethyl)-N-(4-bromo-2-ethylphenyl)pentanamide
CID 81292193
2-(aminomethyl)-N-(2,4-dimethyl-3-pyridinyl)pentanamide
CID 112741868
2-(aminomethyl)-N-(4-methyl-2-nitrophenyl)pentanamide
CID 65225301
ethyl N-[4-[2-(aminomethyl)pentanoylamino]phenyl]carbamate
CID 65225386
2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide
CID 65224354
2-[2-(aminomethyl)pentanoylamino]-N,N-dimethylbenzamide
CID 65226220
2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide
CID 107528482
2-(aminomethyl)-N-(2-chloro-4-cyanophenyl)pentanamide
CID 114003459

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide (CID 65228312) is 2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide is CCCC(CN)C(=O)Nc1ccc(O)cc1C.
What is the InChIKey of 2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide?
The InChIKey is DPBZLKWJCSBWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-4-10(8-14)13(17)15-12-6-5-11(16)7-9(12)2/h5-7,10,16H,3-4,8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide?
2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide has a molecular weight of 236.31 g/mol, XLogP of 2.01, 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-methylphenyl)pentanamide is sourced from PubChem (CID 65228312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).