N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride

C13H21ClN2O — CID 119584915

IUPACN-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)N(C)C(C)CN)cc1C.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-9-5-6-12(7-10(9)2)13(16)15(4)11(3)8-14;/h5-7,11H,8,14H2,1-4H3;1H
InChIKeyXCEOQVOHQZXKBE-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.14
Rot. Bonds3

About N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride

N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride (PubChem CID 119584915) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride
PubChem CID119584915
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC NameN-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)N(C)C(C)CN)cc1C.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-9-5-6-12(7-10(9)2)13(16)15(4)11(3)8-14;/h5-7,11H,8,14H2,1-4H3;1H
InChIKeyXCEOQVOHQZXKBE-UHFFFAOYSA-N
XLogP2.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 104556594
N-(1-aminopropan-2-yl)-3-chloro-N,4-dimethylbenzamide
CID 119583428
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride
CID 119583303
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397
N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide
CID 104556646
N-(1-aminopropan-2-yl)-4-ethoxy-3-methoxy-N-methylbenzamide;hydrochloride
CID 119582790
N-(1-aminopropan-2-yl)-N,3-dimethylbenzamide
CID 82507196
N-(1-aminopropan-2-yl)-3-fluoro-4-iodo-N-methylbenzamide;hydrochloride
CID 119584721
1-N-(1-aminopropan-2-yl)-4-N,4-N-diethyl-1-N-methylbenzene-1,4-dicarboxamide
CID 119584199
2-[(3,4-dimethylbenzoyl)-methylamino]propanoic acid
CID 62628336
N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3-methoxy-N-methylbenzamide;hydrochloride
CID 119584895
3-N-(1-aminopropan-2-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 119584009

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride (CID 119584915) is N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride is Cc1ccc(C(=O)N(C)C(C)CN)cc1C.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride?
The InChIKey is XCEOQVOHQZXKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-9-5-6-12(7-10(9)2)13(16)15(4)11(3)8-14;/h5-7,11H,8,14H2,1-4H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride?
N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride is sourced from PubChem (CID 119584915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).