N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-2-yl)amino]propanamide

C16H27N3O — CID 43571770

IUPACN-[2-(aminomethyl)phenyl]-2-[methyl(pentan-2-yl)amino]propanamide
SMILESCCCC(C)N(C)C(C)C(=O)Nc1ccccc1CN
InChIInChI=1S/C16H27N3O/c1-5-8-12(2)19(4)13(3)16(20)18-15-10-7-6-9-14(15)11-17/h6-7,9-10,12-13H,5,8,11,17H2,1-4H3,(H,18,20)
InChIKeyGDXNEVXCCWNGBC-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.59
Rot. Bonds7

About N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-2-yl)amino]propanamide

N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-2-yl)amino]propanamide (PubChem CID 43571770) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-[methyl(pentan-2-yl)amino]propanamide
PubChem CID43571770
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[2-(aminomethyl)phenyl]-2-[methyl(pentan-2-yl)amino]propanamide
SMILESCCCC(C)N(C)C(C)C(=O)Nc1ccccc1CN
InChIInChI=1S/C16H27N3O/c1-5-8-12(2)19(4)13(3)16(20)18-15-10-7-6-9-14(15)11-17/h6-7,9-10,12-13H,5,8,11,17H2,1-4H3,(H,18,20)
InChIKeyGDXNEVXCCWNGBC-UHFFFAOYSA-N
XLogP2.59
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]propanamide
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CID 54884442
N-[2-(aminomethyl)phenyl]-2-[5-hydroxypentyl(methyl)amino]propanamide
CID 107198478
N-[2-(aminomethyl)phenyl]-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide
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N-[2-(bromomethyl)phenyl]-2-methylpentanamide
CID 114309617
N-[2-(aminomethyl)phenyl]-2-[2-methoxyethyl(propan-2-yl)amino]propanamide
CID 82941643
N-[2-(aminomethyl)phenyl]-2-[ethyl(methyl)amino]acetamide
CID 43263109
N-[2-(aminomethyl)phenyl]-2-propan-2-ylsulfonylpropanamide
CID 64697646
N-[2-(aminomethyl)phenyl]-2-[methyl(propyl)amino]acetamide
CID 43270948
N-[2-(aminomethyl)phenyl]-2-butan-2-ylsulfinylpropanamide
CID 81328530
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-3-yl)amino]acetamide
CID 43570704

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-2-yl)amino]propanamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-2-yl)amino]propanamide (CID 43571770) is N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-2-yl)amino]propanamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-2-yl)amino]propanamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-2-yl)amino]propanamide is CCCC(C)N(C)C(C)C(=O)Nc1ccccc1CN.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-2-yl)amino]propanamide?
The InChIKey is GDXNEVXCCWNGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-8-12(2)19(4)13(3)16(20)18-15-10-7-6-9-14(15)11-17/h6-7,9-10,12-13H,5,8,11,17H2,1-4H3,(H,18,20).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-2-yl)amino]propanamide?
N-[2-(aminomethyl)phenyl]-2-[methyl(pentan-2-yl)amino]propanamide has a molecular weight of 277.41 g/mol, XLogP of 2.59, 7 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-[methyl(pentan-2-yl)amino]propanamide is sourced from PubChem (CID 43571770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).