2-(aminomethyl)-N-(3-hydroxy-4-methylphenyl)-4,4-dimethylpentanamide

C15H24N2O2 — CID 107701269

IUPAC2-(aminomethyl)-N-(3-hydroxy-4-methylphenyl)-4,4-dimethylpentanamide
SMILESCc1ccc(NC(=O)C(CN)CC(C)(C)C)cc1O
InChIInChI=1S/C15H24N2O2/c1-10-5-6-12(7-13(10)18)17-14(19)11(9-16)8-15(2,3)4/h5-7,11,18H,8-9,16H2,1-4H3,(H,17,19)
InChIKeyIMFVAYNZEUIUEW-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.65
Rot. Bonds4

About 2-(aminomethyl)-N-(3-hydroxy-4-methylphenyl)-4,4-dimethylpentanamide

2-(aminomethyl)-N-(3-hydroxy-4-methylphenyl)-4,4-dimethylpentanamide (PubChem CID 107701269) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-hydroxy-4-methylphenyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-hydroxy-4-methylphenyl)-4,4-dimethylpentanamide
PubChem CID107701269
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(aminomethyl)-N-(3-hydroxy-4-methylphenyl)-4,4-dimethylpentanamide
SMILESCc1ccc(NC(=O)C(CN)CC(C)(C)C)cc1O
InChIInChI=1S/C15H24N2O2/c1-10-5-6-12(7-13(10)18)17-14(19)11(9-16)8-15(2,3)4/h5-7,11,18H,8-9,16H2,1-4H3,(H,17,19)
InChIKeyIMFVAYNZEUIUEW-UHFFFAOYSA-N
XLogP2.65
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide
CID 107470961
2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-4-pyridinyl)pentanamide
CID 107472380
2-(aminomethyl)-N-(1-benzothiophen-5-yl)-4,4-dimethylpentanamide
CID 107471323
(2R)-2-amino-N-(3-hydroxy-4-methylphenyl)-4-methylpentanamide
CID 107701657
3-amino-N-(3-hydroxy-4-methylphenyl)-2,2-dimethylpropanamide
CID 107701407
2-(aminomethyl)-N-[3-(dimethylamino)phenyl]-4,4-dimethylpentanamide
CID 107472557
2-(aminomethyl)-N-(4-ethoxyphenyl)-4,4-dimethylpentanamide
CID 107470924
2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-4,4-dimethylpentanamide
CID 107471403
2-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]-4,4-dimethylpentanamide
CID 107471121
2-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4,4-dimethylpentanamide
CID 107471361
2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)pentanamide
CID 107471479
2-bromo-N-(3-hydroxy-4-methylphenyl)butanamide
CID 21343940

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-hydroxy-4-methylphenyl)-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(3-hydroxy-4-methylphenyl)-4,4-dimethylpentanamide (CID 107701269) is 2-(aminomethyl)-N-(3-hydroxy-4-methylphenyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-hydroxy-4-methylphenyl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-hydroxy-4-methylphenyl)-4,4-dimethylpentanamide is Cc1ccc(NC(=O)C(CN)CC(C)(C)C)cc1O.
What is the InChIKey of 2-(aminomethyl)-N-(3-hydroxy-4-methylphenyl)-4,4-dimethylpentanamide?
The InChIKey is IMFVAYNZEUIUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-5-6-12(7-13(10)18)17-14(19)11(9-16)8-15(2,3)4/h5-7,11,18H,8-9,16H2,1-4H3,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-(3-hydroxy-4-methylphenyl)-4,4-dimethylpentanamide?
2-(aminomethyl)-N-(3-hydroxy-4-methylphenyl)-4,4-dimethylpentanamide has a molecular weight of 264.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-hydroxy-4-methylphenyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 107701269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).