2-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]butanamide

C15H24N2O2 — CID 115186984

IUPAC2-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]butanamide
SMILESCCC(CN)C(=O)NCc1cc(C)cc(C)c1OC
InChIInChI=1S/C15H24N2O2/c1-5-12(8-16)15(18)17-9-13-7-10(2)6-11(3)14(13)19-4/h6-7,12H,5,8-9,16H2,1-4H3,(H,17,18)
InChIKeyQSTILTKRBIXOOS-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.91
Rot. Bonds6

About 2-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]butanamide

2-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]butanamide (PubChem CID 115186984) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]butanamide
PubChem CID115186984
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]butanamide
SMILESCCC(CN)C(=O)NCc1cc(C)cc(C)c1OC
InChIInChI=1S/C15H24N2O2/c1-5-12(8-16)15(18)17-9-13-7-10(2)6-11(3)14(13)19-4/h6-7,12H,5,8-9,16H2,1-4H3,(H,17,18)
InChIKeyQSTILTKRBIXOOS-UHFFFAOYSA-N
XLogP1.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]butanamide
CID 115186970
(2-methoxy-3,5-dimethylphenyl)methylcarbamothioic S-acid
CID 115169975
4-methoxy-N-[(2-methoxy-3,5-dimethylphenyl)methyl]benzamide
CID 110782841
1-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide
CID 115182693
2-(aminomethyl)-N-[(5-bromo-2-methylphenyl)methyl]butanamide
CID 115187003
2-(aminomethyl)-N-[(2-methyl-5-propan-2-ylphenyl)methyl]butanamide
CID 115186987
(E)-4-[(2-methoxy-3,5-dimethylphenyl)methylamino]-4-oxobut-2-enoic acid
CID 115177212
ethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane
CID 176965315
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110794166
2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid
CID 82494584
1-[(2-methoxy-3,5-dimethylphenyl)methylamino]propan-2-one
CID 115234729
2-(2-methoxy-3,5-dimethylphenyl)acetamide
CID 82491159

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]butanamide (CID 115186984) is 2-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]butanamide is CCC(CN)C(=O)NCc1cc(C)cc(C)c1OC.
What is the InChIKey of 2-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]butanamide?
The InChIKey is QSTILTKRBIXOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-12(8-16)15(18)17-9-13-7-10(2)6-11(3)14(13)19-4/h6-7,12H,5,8-9,16H2,1-4H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]butanamide?
2-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]butanamide has a molecular weight of 264.37 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(2-methoxy-3,5-dimethylphenyl)methyl]butanamide is sourced from PubChem (CID 115186984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).