2-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylbutanamide

C15H24N2O2 — CID 65229949

IUPAC2-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylbutanamide
SMILESCOCc1ccccc1CNC(=O)C(CN)C(C)C
InChIInChI=1S/C15H24N2O2/c1-11(2)14(8-16)15(18)17-9-12-6-4-5-7-13(12)10-19-3/h4-7,11,14H,8-10,16H2,1-3H3,(H,17,18)
InChIKeyVODPETBFZLDKNX-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.68
Rot. Bonds7

About 2-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylbutanamide

2-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylbutanamide (PubChem CID 65229949) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylbutanamide
PubChem CID65229949
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylbutanamide
SMILESCOCc1ccccc1CNC(=O)C(CN)C(C)C
InChIInChI=1S/C15H24N2O2/c1-11(2)14(8-16)15(18)17-9-12-6-4-5-7-13(12)10-19-3/h4-7,11,14H,8-10,16H2,1-3H3,(H,17,18)
InChIKeyVODPETBFZLDKNX-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide
CID 65229042
N-[[2-(methoxymethyl)phenyl]methyl]-2-(methylamino)propanamide
CID 55096555
2-amino-N-[[2-(methoxymethyl)phenyl]methyl]-2-phenylacetamide
CID 60924991
2-(aminomethyl)-3-methyl-N-[(2-nitrophenyl)methyl]butanamide
CID 65227998
2-amino-4-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]butanamide
CID 62473216
2-amino-N-[[2-(methoxymethyl)phenyl]methyl]butanediamide;hydrochloride
CID 119956519
2-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60737939
2-fluoro-N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 134023150
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 110924335
2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide
CID 43700969
2-hydroxyethyl N-[[2-(methoxymethyl)phenyl]methyl]carbamate
CID 79346129
N-[1-[[2-(methoxymethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 134023152

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylbutanamide (CID 65229949) is 2-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylbutanamide is COCc1ccccc1CNC(=O)C(CN)C(C)C.
What is the InChIKey of 2-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylbutanamide?
The InChIKey is VODPETBFZLDKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)14(8-16)15(18)17-9-12-6-4-5-7-13(12)10-19-3/h4-7,11,14H,8-10,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylbutanamide?
2-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-3-methylbutanamide is sourced from PubChem (CID 65229949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).