1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride

C12H17ClN2O — CID 119670578

IUPAC1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2(N)CC2)c(C)c1.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-8-3-4-10(9(2)7-8)14-11(15)12(13)5-6-12;/h3-4,7H,5-6,13H2,1-2H3,(H,14,15);1H
InChIKeyMNHICIMPTBDOTJ-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.16
Rot. Bonds2

About 1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride

1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119670578) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119670578
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2(N)CC2)c(C)c1.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-8-3-4-10(9(2)7-8)14-11(15)12(13)5-6-12;/h3-4,7H,5-6,13H2,1-2H3,(H,14,15);1H
InChIKeyMNHICIMPTBDOTJ-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 24696673
1-amino-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 24697846
4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide
CID 43706651
2-[(1-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid
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CID 63121544
1-amino-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
CID 82757304
1-amino-N-(2-methyl-4-propan-2-yloxyphenyl)cyclopentane-1-carboxamide
CID 60927272
methyl 2-[4-[(1-aminocyclopropanecarbonyl)amino]-3-methylphenoxy]acetate
CID 119742503
1-amino-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 119685811
1-amino-N-(2-hydroxy-3,5-dimethylphenyl)cyclobutane-1-carboxamide
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1-amino-N-(5-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 65465047

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride (CID 119670578) is 1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride is Cc1ccc(NC(=O)C2(N)CC2)c(C)c1.Cl.
What is the InChIKey of 1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is MNHICIMPTBDOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.ClH/c1-8-3-4-10(9(2)7-8)14-11(15)12(13)5-6-12;/h3-4,7H,5-6,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119670578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).