2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide

C13H21N3O — CID 62508707

IUPAC2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NCC(C)N(C)C)c1
InChIInChI=1S/C13H21N3O/c1-9-5-6-12(14)11(7-9)13(17)15-8-10(2)16(3)4/h5-7,10H,8,14H2,1-4H3,(H,15,17)
InChIKeyJLVAXEVLDFXINI-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.26
Rot. Bonds4

About 2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide

2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide (PubChem CID 62508707) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide
PubChem CID62508707
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide
SMILESCc1ccc(N)c(C(=O)NCC(C)N(C)C)c1
InChIInChI=1S/C13H21N3O/c1-9-5-6-12(14)11(7-9)13(17)15-8-10(2)16(3)4/h5-7,10H,8,14H2,1-4H3,(H,15,17)
InChIKeyJLVAXEVLDFXINI-UHFFFAOYSA-N
XLogP1.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-methyl-N-(2-methylpropyl)benzamide
CID 62074325
2-amino-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
CID 54916025
2-amino-N-(3-hydroxy-2-methylpropyl)-5-methylbenzamide
CID 65036645
2-amino-N-(2-hydroxy-3-methylbutyl)-5-methylbenzamide
CID 113491855
N-[2-(dimethylamino)propyl]-2-(ethylamino)-5-methylbenzamide
CID 62508874
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide
CID 83108048
5-amino-N-[2-(dimethylamino)propyl]-2,4-difluorobenzamide
CID 61139702
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methylbenzamide
CID 55082851
4-amino-2-chloro-N-[2-(dimethylamino)propyl]benzamide;dihydrochloride
CID 119861815
2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
CID 106434384
2-bromo-N-[2-(dimethylamino)propyl]benzamide
CID 60748459
2-amino-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112656503

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide (CID 62508707) is 2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide is Cc1ccc(N)c(C(=O)NCC(C)N(C)C)c1.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide?
The InChIKey is JLVAXEVLDFXINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-5-6-12(14)11(7-9)13(17)15-8-10(2)16(3)4/h5-7,10H,8,14H2,1-4H3,(H,15,17).
What are the key properties of 2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide?
2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide has a molecular weight of 235.33 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)propyl]-5-methylbenzamide is sourced from PubChem (CID 62508707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).