N-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide

C13H21N3O — CID 16790280

IUPACN-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(C)CC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C13H21N3O/c1-10(2)16(3)9-13(17)15-12-6-4-11(8-14)5-7-12/h4-7,10H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyVNDKYGXQNXUETE-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.42
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide

N-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide (PubChem CID 16790280) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide
PubChem CID16790280
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(C)CC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C13H21N3O/c1-10(2)16(3)9-13(17)15-12-6-4-11(8-14)5-7-12/h4-7,10H,8-9,14H2,1-3H3,(H,15,17)
InChIKeyVNDKYGXQNXUETE-UHFFFAOYSA-N
XLogP1.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-[1-(dimethylamino)propan-2-yl-ethylamino]acetamide
CID 103187880
methyl 2-[[2-[4-(aminomethyl)anilino]-2-oxoethyl]-methylamino]acetate
CID 63383294
N-[3-(aminomethyl)phenyl]-2-[methyl(3-methylbutan-2-yl)amino]acetamide
CID 43569718
N-[4-(aminomethyl)phenyl]-2-[ethyl(2-methylbutyl)amino]acetamide
CID 79477006
N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 17430297
2-[4-(aminomethyl)-N-(methylcarbamoyl)anilino]-N-[4-(aminomethyl)phenyl]acetamide
CID 174285055
N-[4-(aminomethyl)phenyl]-3-(2-methylpropylsulfonyl)propanamide
CID 64698213
N-[4-(aminomethyl)phenyl]-2-[2-ethoxyethyl(methyl)amino]acetamide
CID 81058978
N-[4-(aminomethyl)phenyl]-3-[2-(dimethylamino)ethyl-methylamino]propanamide
CID 63694622
N-[4-(aminomethyl)phenyl]-2-[methyl(3-methylbutyl)amino]propanamide
CID 61425557
N-[4-(aminomethyl)phenyl]-3-[ethyl(2-methylpropyl)amino]propanamide
CID 43273391
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide (CID 16790280) is N-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide is CC(C)N(C)CC(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide?
The InChIKey is VNDKYGXQNXUETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(2)16(3)9-13(17)15-12-6-4-11(8-14)5-7-12/h4-7,10H,8-9,14H2,1-3H3,(H,15,17).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide?
N-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide has a molecular weight of 235.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 16790280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).