1-amino-N-methyl-N-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride

C12H17ClN2O — CID 119706037

IUPAC1-amino-N-methyl-N-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCc1ccc(N(C)C(=O)C2(N)CC2)cc1.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-9-3-5-10(6-4-9)14(2)11(15)12(13)7-8-12;/h3-6H,7-8,13H2,1-2H3;1H
InChIKeySUPRBKANDZIFML-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.87
Rot. Bonds2

About 1-amino-N-methyl-N-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride

1-amino-N-methyl-N-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119706037) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-amino-N-methyl-N-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-methyl-N-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119706037
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-amino-N-methyl-N-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCc1ccc(N(C)C(=O)C2(N)CC2)cc1.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-9-3-5-10(6-4-9)14(2)11(15)12(13)7-8-12;/h3-6H,7-8,13H2,1-2H3;1H
InChIKeySUPRBKANDZIFML-UHFFFAOYSA-N
XLogP1.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-amino-N-(4-fluorophenyl)-N-methylcyclohexane-1-carboxamide;hydrochloride
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1-amino-N-(4-tert-butylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119302215
1-amino-N-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide
CID 81169719
1-amino-N-(4-cyanophenyl)-N-methylcyclopentane-1-carboxamide
CID 55141779
1-amino-N-methyl-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 119320851
1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119807505
N,3-dimethyl-N-(4-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119706051
N-methyl-1-(methylaminomethyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 115182934
4-methoxy-N-methyl-N-(4-methylphenyl)piperidine-4-carboxamide
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3-amino-N-(4-ethylphenyl)-N-methyloxolane-3-carboxamide
CID 64891208

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-methyl-N-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride (CID 119706037) is 1-amino-N-methyl-N-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-methyl-N-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-methyl-N-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride is Cc1ccc(N(C)C(=O)C2(N)CC2)cc1.Cl.
What is the InChIKey of 1-amino-N-methyl-N-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is SUPRBKANDZIFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.ClH/c1-9-3-5-10(6-4-9)14(2)11(15)12(13)7-8-12;/h3-6H,7-8,13H2,1-2H3;1H.
What are the key properties of 1-amino-N-methyl-N-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-methyl-N-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119706037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).