N-(2-aminoethyl)-N-methyl-1-phenylcyclopropane-1-carboxamide

C13H18N2O — CID 62878656

IUPACN-(2-aminoethyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
SMILESCN(CCN)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C13H18N2O/c1-15(10-9-14)12(16)13(7-8-13)11-5-3-2-4-6-11/h2-6H,7-10,14H2,1H3
InChIKeyNJFYTGMSKOQNKI-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.14
Rot. Bonds4

About N-(2-aminoethyl)-N-methyl-1-phenylcyclopropane-1-carboxamide

N-(2-aminoethyl)-N-methyl-1-phenylcyclopropane-1-carboxamide (PubChem CID 62878656) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-methyl-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
PubChem CID62878656
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(2-aminoethyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
SMILESCN(CCN)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C13H18N2O/c1-15(10-9-14)12(16)13(7-8-13)11-5-3-2-4-6-11/h2-6H,7-10,14H2,1H3
InChIKeyNJFYTGMSKOQNKI-UHFFFAOYSA-N
XLogP1.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromopentyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 107206168
N-methyl-1-phenylcyclopropane-1-carbohydrazide
CID 116846008
N-(2-hydroxypropyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 62335163
2-methyl-3-[methyl-(1-phenylcyclopropanecarbonyl)amino]propanoic acid
CID 55008067
N-(3-hydroxybutyl)-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 115673284
N-(2-aminoethyl)-1-phenyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 107493531
N-methyl-N-[(2-methylphenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 134028500
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 119653882
N-[(2-bromophenyl)methyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 60630831
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 31971501
3-[(1-ethylsulfonyl-4-phenylpiperidine-4-carbonyl)-methylamino]propanoic acid
CID 119362379
N-(2-hydroxycyclohexyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 102634188

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-methyl-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-methyl-1-phenylcyclopropane-1-carboxamide (CID 62878656) is N-(2-aminoethyl)-N-methyl-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-methyl-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-methyl-1-phenylcyclopropane-1-carboxamide is CN(CCN)C(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-(2-aminoethyl)-N-methyl-1-phenylcyclopropane-1-carboxamide?
The InChIKey is NJFYTGMSKOQNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15(10-9-14)12(16)13(7-8-13)11-5-3-2-4-6-11/h2-6H,7-10,14H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-methyl-1-phenylcyclopropane-1-carboxamide?
N-(2-aminoethyl)-N-methyl-1-phenylcyclopropane-1-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-methyl-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 62878656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).