2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide

C15H25N3O — CID 115376625

IUPAC2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide
SMILESCc1ccc(NC(=O)C(CN)C(C)C)cc1N(C)C
InChIInChI=1S/C15H25N3O/c1-10(2)13(9-16)15(19)17-12-7-6-11(3)14(8-12)18(4)5/h6-8,10,13H,9,16H2,1-5H3,(H,17,19)
InChIKeyABOHBIOOCIKJJY-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.23
Rot. Bonds5

About 2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide

2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide (PubChem CID 115376625) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide
PubChem CID115376625
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide
SMILESCc1ccc(NC(=O)C(CN)C(C)C)cc1N(C)C
InChIInChI=1S/C15H25N3O/c1-10(2)13(9-16)15(19)17-12-7-6-11(3)14(8-12)18(4)5/h6-8,10,13H,9,16H2,1-5H3,(H,17,19)
InChIKeyABOHBIOOCIKJJY-UHFFFAOYSA-N
XLogP2.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-(dimethylamino)-4-methylphenyl]-4-methylpentanamide
CID 115377243
N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide
CID 103515923
N-(4-acetamido-3-methylphenyl)-2-(aminomethyl)-3-methylbutanamide
CID 65225971
2-amino-N-[3-(dimethylamino)-4-methylphenyl]pentanamide
CID 113297671
2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide
CID 65226088
methyl 3-amino-2-[3-(dimethylamino)-4-methylanilino]propanoate
CID 114242330
2-(aminomethyl)-N-(3-bromophenyl)-3-methylbutanamide
CID 65226098
4-[[2-(aminomethyl)-3-methylbutanoyl]amino]-N-(2-hydroxyethyl)benzamide
CID 65225263
2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-2-phenylacetamide
CID 115376593
2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-propan-2-ylamino]acetic acid
CID 115378571
N-[3-(dimethylamino)-4-methylphenyl]-2,2-dimethylpropanamide
CID 115379519
N-[3-(aminomethyl)-4-methylphenyl]-2-methylpropanamide
CID 82507167

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide (CID 115376625) is 2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide is Cc1ccc(NC(=O)C(CN)C(C)C)cc1N(C)C.
What is the InChIKey of 2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide?
The InChIKey is ABOHBIOOCIKJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-10(2)13(9-16)15(19)17-12-7-6-11(3)14(8-12)18(4)5/h6-8,10,13H,9,16H2,1-5H3,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide?
2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide has a molecular weight of 263.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]-3-methylbutanamide is sourced from PubChem (CID 115376625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).