2-[1-[2-(diethylamino)phenyl]cyclopropyl]acetic acid

C15H21NO2 — CID 117371219

IUPAC2-[1-[2-(diethylamino)phenyl]cyclopropyl]acetic acid
SMILESCCN(CC)c1ccccc1C1(CC(=O)O)CC1
InChIInChI=1S/C15H21NO2/c1-3-16(4-2)13-8-6-5-7-12(13)15(9-10-15)11-14(17)18/h5-8H,3-4,9-11H2,1-2H3,(H,17,18)
InChIKeyCRKCNBWPFWQDKL-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.04
Rot. Bonds6

About 2-[1-[2-(diethylamino)phenyl]cyclopropyl]acetic acid

2-[1-[2-(diethylamino)phenyl]cyclopropyl]acetic acid (PubChem CID 117371219) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[1-[2-(diethylamino)phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(diethylamino)phenyl]cyclopropyl]acetic acid
PubChem CID117371219
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[1-[2-(diethylamino)phenyl]cyclopropyl]acetic acid
SMILESCCN(CC)c1ccccc1C1(CC(=O)O)CC1
InChIInChI=1S/C15H21NO2/c1-3-16(4-2)13-8-6-5-7-12(13)15(9-10-15)11-14(17)18/h5-8H,3-4,9-11H2,1-2H3,(H,17,18)
InChIKeyCRKCNBWPFWQDKL-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-fluorophenyl)cyclopropyl]acetic acid
CID 82075914
2-[1-[2-(2-hydroxypropan-2-yl)phenyl]cyclopropyl]acetic acid
CID 117107629
2-[1-[2-(difluoromethyl)phenyl]cyclopropyl]acetic acid
CID 84790886
2-[1-(2-methylphenyl)cyclobutyl]acetic acid
CID 83687028
2-[1-[2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 84787394
2-[1-[(N-ethyl-2-methylanilino)methyl]cyclopropyl]acetic acid
CID 65496312
2-[1-(2-cyclopropylsulfanylphenyl)cyclopropyl]acetic acid
CID 117374314
2-[1-[2-(1-methylazetidin-3-yl)phenyl]cyclopropyl]acetic acid
CID 117365328
2-[1-(2-hydroxy-5-propan-2-ylphenyl)cyclopropyl]acetic acid
CID 84796918
2-[4-(2-fluorophenyl)-1,1-dioxothian-4-yl]acetic acid
CID 171318653
2-[1-(3-chloro-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800640
2-[1-(2,3-dimethylphenyl)cyclopentyl]acetic acid
CID 82289741

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(diethylamino)phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[2-(diethylamino)phenyl]cyclopropyl]acetic acid (CID 117371219) is 2-[1-[2-(diethylamino)phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(diethylamino)phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[2-(diethylamino)phenyl]cyclopropyl]acetic acid is CCN(CC)c1ccccc1C1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[2-(diethylamino)phenyl]cyclopropyl]acetic acid?
The InChIKey is CRKCNBWPFWQDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-16(4-2)13-8-6-5-7-12(13)15(9-10-15)11-14(17)18/h5-8H,3-4,9-11H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-[2-(diethylamino)phenyl]cyclopropyl]acetic acid?
2-[1-[2-(diethylamino)phenyl]cyclopropyl]acetic acid has a molecular weight of 247.34 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(diethylamino)phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 117371219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).