2-[2-(4-ethylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid

C15H21NO2 — CID 117042769

IUPAC2-[2-(4-ethylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
SMILESCCc1ccc(CCN(C)C2CC2C(=O)O)cc1
InChIInChI=1S/C15H21NO2/c1-3-11-4-6-12(7-5-11)8-9-16(2)14-10-13(14)15(17)18/h4-7,13-14H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyOMIHNUSGKAMLCP-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.20
Rot. Bonds6

About 2-[2-(4-ethylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid

2-[2-(4-ethylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid (PubChem CID 117042769) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
PubChem CID117042769
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[2-(4-ethylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
SMILESCCc1ccc(CCN(C)C2CC2C(=O)O)cc1
InChIInChI=1S/C15H21NO2/c1-3-11-4-6-12(7-5-11)8-9-16(2)14-10-13(14)15(17)18/h4-7,13-14H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyOMIHNUSGKAMLCP-UHFFFAOYSA-N
XLogP2.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-fluorophenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042808
2-[methyl-[(4-methylphenyl)methyl]amino]cyclopropane-1-carboxylic acid
CID 117042658
N-[2-(4-ethylphenyl)ethyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
CID 115182438
2-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042779
2-N-[2-(4-ethylphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
CID 115118118
1-[2-(4-ethylphenyl)ethyl]-1-methylurea
CID 115168590
N-[2-(4-ethylphenyl)ethyl]-N-methyl-3-oxobutanamide
CID 115176585
4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid
CID 66235785
2-[methyl(2-thiophen-2-ylethyl)amino]cyclobutane-1-carboxylic acid
CID 80996502
4-[2-(4-ethylphenyl)ethyl-methylamino]cyclohexan-1-one
CID 117039757
2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54918615
(E)-4-[2-(4-ethylphenyl)ethyl-methylamino]-4-oxobut-2-enoic acid
CID 115177305

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(4-ethylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid (CID 117042769) is 2-[2-(4-ethylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(4-ethylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(4-ethylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid is CCc1ccc(CCN(C)C2CC2C(=O)O)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid?
The InChIKey is OMIHNUSGKAMLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-11-4-6-12(7-5-11)8-9-16(2)14-10-13(14)15(17)18/h4-7,13-14H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(4-ethylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid?
2-[2-(4-ethylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117042769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).