N-[2-(methylamino)ethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride

C14H21ClN2O — CID 119503238

IUPACN-[2-(methylamino)ethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCNCCNC(=O)C1CC1c1ccccc1C.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-10-5-3-4-6-11(10)12-9-13(12)14(17)16-8-7-15-2;/h3-6,12-13,15H,7-9H2,1-2H3,(H,16,17);1H
InChIKeyYPZZXVXVHYMRAI-UHFFFAOYSA-N
MW268.79 g/mol
LogP1.86
Rot. Bonds5

About N-[2-(methylamino)ethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride

N-[2-(methylamino)ethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119503238) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119503238
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[2-(methylamino)ethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCNCCNC(=O)C1CC1c1ccccc1C.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-10-5-3-4-6-11(10)12-9-13(12)14(17)16-8-7-15-2;/h3-6,12-13,15H,7-9H2,1-2H3,(H,16,17);1H
InChIKeyYPZZXVXVHYMRAI-UHFFFAOYSA-N
XLogP1.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 99849422
N-(2-amino-2-ethylbutyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119642864
3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119221223
trans-(1S,2S)-2-(2-methylphenyl)-N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propyl]cyclopropane-1-carboxamide
CID 136807910
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 111450735
2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225504
2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 119501592
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 120569043
N-(1-aminohexan-2-yl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119667796
trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide
CID 95157526
2-methyl-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 62657204
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 71930081

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)ethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride (CID 119503238) is N-[2-(methylamino)ethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)ethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)ethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride is CNCCNC(=O)C1CC1c1ccccc1C.Cl.
What is the InChIKey of N-[2-(methylamino)ethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is YPZZXVXVHYMRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-10-5-3-4-6-11(10)12-9-13(12)14(17)16-8-7-15-2;/h3-6,12-13,15H,7-9H2,1-2H3,(H,16,17);1H.
What are the key properties of N-[2-(methylamino)ethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
N-[2-(methylamino)ethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119503238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).