2-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-methylpropanamide

C13H21N3O — CID 61265996

IUPAC2-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-methylpropanamide
SMILESCN(C)Cc1ccc(NC(=O)C(C)(C)N)cc1
InChIInChI=1S/C13H21N3O/c1-13(2,14)12(17)15-11-7-5-10(6-8-11)9-16(3)4/h5-8H,9,14H2,1-4H3,(H,15,17)
InChIKeyYWOVPVHIFPTSSB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.42
Rot. Bonds4

About 2-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-methylpropanamide

2-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-methylpropanamide (PubChem CID 61265996) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-methylpropanamide
PubChem CID61265996
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-methylpropanamide
SMILESCN(C)Cc1ccc(NC(=O)C(C)(C)N)cc1
InChIInChI=1S/C13H21N3O/c1-13(2,14)12(17)15-11-7-5-10(6-8-11)9-16(3)4/h5-8H,9,14H2,1-4H3,(H,15,17)
InChIKeyYWOVPVHIFPTSSB-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide
CID 110480064
2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-2-ethylbutanamide
CID 115431890
2-amino-N-(4-butylphenyl)-2-methylpropanamide
CID 61267154
2-amino-2-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 110460952
(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]propanamide
CID 61146186
2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-4,4-dimethylpentanamide
CID 107471403
N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
CID 37243297
(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]butanamide
CID 79024584
2-amino-2-methyl-N-phenylpropanamide;hydrochloride
CID 53409029
2-amino-2-methyl-N-(4-methylsulfanylphenyl)propanamide
CID 61265174
2-amino-N-[4-[(dimethylamino)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62794096
N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpropanamide
CID 61267036

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-methylpropanamide (CID 61265996) is 2-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-methylpropanamide is CN(C)Cc1ccc(NC(=O)C(C)(C)N)cc1.
What is the InChIKey of 2-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-methylpropanamide?
The InChIKey is YWOVPVHIFPTSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,14)12(17)15-11-7-5-10(6-8-11)9-16(3)4/h5-8H,9,14H2,1-4H3,(H,15,17).
What are the key properties of 2-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-methylpropanamide?
2-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-methylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 61265996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).