1-[(5-ethyl-2-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid

C15H21NO3 — CID 116958159

IUPAC1-[(5-ethyl-2-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCCc1ccc(OC)c(C(NC)C2(C(=O)O)CC2)c1
InChIInChI=1S/C15H21NO3/c1-4-10-5-6-12(19-3)11(9-10)13(16-2)15(7-8-15)14(17)18/h5-6,9,13,16H,4,7-8H2,1-3H3,(H,17,18)
InChIKeyUHASPLGRJDWABJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.38
Rot. Bonds6

About 1-[(5-ethyl-2-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid

1-[(5-ethyl-2-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 116958159) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[(5-ethyl-2-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-ethyl-2-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID116958159
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[(5-ethyl-2-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCCc1ccc(OC)c(C(NC)C2(C(=O)O)CC2)c1
InChIInChI=1S/C15H21NO3/c1-4-10-5-6-12(19-3)11(9-10)13(16-2)15(7-8-15)14(17)18/h5-6,9,13,16H,4,7-8H2,1-3H3,(H,17,18)
InChIKeyUHASPLGRJDWABJ-UHFFFAOYSA-N
XLogP2.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethyl-2-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116958555
1-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958937
(E)-4-(5-ethyl-2-methoxyphenyl)-4-(methylamino)but-2-enoic acid
CID 116956314
1-[(3-fluoro-4-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958135
1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958147
3-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]oxetane-3-carboxylic acid
CID 116959348
1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine
CID 116939309
1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932463
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
[1-[(2-methoxy-5-methylphenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958241
5-amino-5-(5-ethyl-2-methoxyphenyl)pentan-2-one
CID 116940702
methyl 2-(cyclopropylamino)-2-(5-ethyl-2-methoxyphenyl)acetate
CID 116857346

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-2-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(5-ethyl-2-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid (CID 116958159) is 1-[(5-ethyl-2-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-ethyl-2-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(5-ethyl-2-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid is CCc1ccc(OC)c(C(NC)C2(C(=O)O)CC2)c1.
What is the InChIKey of 1-[(5-ethyl-2-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is UHASPLGRJDWABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-10-5-6-12(19-3)11(9-10)13(16-2)15(7-8-15)14(17)18/h5-6,9,13,16H,4,7-8H2,1-3H3,(H,17,18).
What are the key properties of 1-[(5-ethyl-2-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid?
1-[(5-ethyl-2-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-2-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116958159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).