2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]propanamide

C13H21N3O — CID 83624402

IUPAC2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]propanamide
SMILESCc1ccc(CN(C)C)cc1NC(=O)C(C)N
InChIInChI=1S/C13H21N3O/c1-9-5-6-11(8-16(3)4)7-12(9)15-13(17)10(2)14/h5-7,10H,8,14H2,1-4H3,(H,15,17)
InChIKeyZGXMBVJXVWSWGP-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.34
Rot. Bonds4

About 2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]propanamide

2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]propanamide (PubChem CID 83624402) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]propanamide
PubChem CID83624402
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]propanamide
SMILESCc1ccc(CN(C)C)cc1NC(=O)C(C)N
InChIInChI=1S/C13H21N3O/c1-9-5-6-11(8-16(3)4)7-12(9)15-13(17)10(2)14/h5-7,10H,8,14H2,1-4H3,(H,15,17)
InChIKeyZGXMBVJXVWSWGP-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-(4-methylphenyl)acetamide
CID 120670492
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119895285
2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide
CID 83624401
(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]propanamide
CID 61146186
(2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 61145682
1-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119895227
3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-phenylpropanamide;dihydrochloride
CID 119954106
2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride
CID 119279910
3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopentane-1-carboxamide
CID 119895255
(2S,3S)-2-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-3-methylpentanamide
CID 61178895
3-[[(2R)-2-aminopropanoyl]amino]-N-ethyl-4-methylbenzamide;hydrochloride
CID 119284386
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-hydroxypyridine-2-carboxamide
CID 167841465

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]propanamide?
The IUPAC name of 2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]propanamide (CID 83624402) is 2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]propanamide.
What is the SMILES notation for 2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]propanamide?
The canonical SMILES for 2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]propanamide is Cc1ccc(CN(C)C)cc1NC(=O)C(C)N.
What is the InChIKey of 2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]propanamide?
The InChIKey is ZGXMBVJXVWSWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-5-6-11(8-16(3)4)7-12(9)15-13(17)10(2)14/h5-7,10H,8,14H2,1-4H3,(H,15,17).
What are the key properties of 2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]propanamide?
2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]propanamide has a molecular weight of 235.33 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]propanamide is sourced from PubChem (CID 83624402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).