N-[2-(aminomethyl)phenyl]-2-(2-methylbutan-2-yloxy)propanamide

C15H24N2O2 — CID 43127359

IUPACN-[2-(aminomethyl)phenyl]-2-(2-methylbutan-2-yloxy)propanamide
SMILESCCC(C)(C)OC(C)C(=O)Nc1ccccc1CN
InChIInChI=1S/C15H24N2O2/c1-5-15(3,4)19-11(2)14(18)17-13-9-7-6-8-12(13)10-16/h6-9,11H,5,10,16H2,1-4H3,(H,17,18)
InChIKeyQOVGTSOXRRRRDG-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.68
Rot. Bonds6

About N-[2-(aminomethyl)phenyl]-2-(2-methylbutan-2-yloxy)propanamide

N-[2-(aminomethyl)phenyl]-2-(2-methylbutan-2-yloxy)propanamide (PubChem CID 43127359) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-(2-methylbutan-2-yloxy)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-(2-methylbutan-2-yloxy)propanamide
PubChem CID43127359
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[2-(aminomethyl)phenyl]-2-(2-methylbutan-2-yloxy)propanamide
SMILESCCC(C)(C)OC(C)C(=O)Nc1ccccc1CN
InChIInChI=1S/C15H24N2O2/c1-5-15(3,4)19-11(2)14(18)17-13-9-7-6-8-12(13)10-16/h6-9,11H,5,10,16H2,1-4H3,(H,17,18)
InChIKeyQOVGTSOXRRRRDG-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]propanamide
CID 43127345
N-(2-aminophenyl)-2-(2-methylbutan-2-yloxy)propanamide
CID 43127203
N-[2-(aminomethyl)phenyl]-2,2-dimethylbutanamide
CID 63756106
N-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide
CID 79380266
N-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide
CID 64697646
N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfinylpropanamide
CID 81328530
N-[2-(aminomethyl)phenyl]-2-(2,5-dimethylphenoxy)propanamide
CID 16793258
N-[2-(aminomethyl)phenyl]-2-(oxan-4-yloxy)propanamide
CID 61287366
N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfonylpropanamide
CID 64698633
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]propanamide
CID 43570705
2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
N-(2-ethylphenyl)-2-methylbutanamide
CID 3140517

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-(2-methylbutan-2-yloxy)propanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-(2-methylbutan-2-yloxy)propanamide (CID 43127359) is N-[2-(aminomethyl)phenyl]-2-(2-methylbutan-2-yloxy)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-(2-methylbutan-2-yloxy)propanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-(2-methylbutan-2-yloxy)propanamide is CCC(C)(C)OC(C)C(=O)Nc1ccccc1CN.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-(2-methylbutan-2-yloxy)propanamide?
The InChIKey is QOVGTSOXRRRRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-15(3,4)19-11(2)14(18)17-13-9-7-6-8-12(13)10-16/h6-9,11H,5,10,16H2,1-4H3,(H,17,18).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-(2-methylbutan-2-yloxy)propanamide?
N-[2-(aminomethyl)phenyl]-2-(2-methylbutan-2-yloxy)propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-(2-methylbutan-2-yloxy)propanamide is sourced from PubChem (CID 43127359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).