2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid

C15H21NO3 — CID 117042778

IUPAC2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(CCN(C)C2CC2C(=O)O)cc1C
InChIInChI=1S/C15H21NO3/c1-10-8-11(4-5-14(10)19-3)6-7-16(2)13-9-12(13)15(17)18/h4-5,8,12-13H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyQFWYFVVPQJZHGY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.95
Rot. Bonds6

About 2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid

2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid (PubChem CID 117042778) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
PubChem CID117042778
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(CCN(C)C2CC2C(=O)O)cc1C
InChIInChI=1S/C15H21NO3/c1-10-8-11(4-5-14(10)19-3)6-7-16(2)13-9-12(13)15(17)18/h4-5,8,12-13H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyQFWYFVVPQJZHGY-UHFFFAOYSA-N
XLogP1.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042779
2-[2-(4-ethylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042769
N-(methoxymethyl)-2-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 115258978
2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]acetaldehyde
CID 115223336
2-hydroxy-N-[2-(4-methoxy-3-methylphenyl)ethyl]-N-methylpropanamide
CID 115141022
3-[[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]methyl]cyclobutan-1-amine
CID 115214350
N-methoxy-4-(4-methoxy-3-methylphenyl)butanamide
CID 11470409
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-2-oxoacetic acid
CID 82129654
4-(4-methoxy-3-methylphenyl)-N-(2-methylcyclohexyl)butanamide
CID 3823033
2-[[2-(4-methoxy-3-methylphenyl)acetyl]-methylamino]propanoic acid
CID 110834445
2-amino-5-(4-methoxy-3-methylphenyl)pentanoic acid
CID 112518246
N-cyclopropyl-N'-[2-(4-methoxy-3-methylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115207128

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid (CID 117042778) is 2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid is COc1ccc(CCN(C)C2CC2C(=O)O)cc1C.
What is the InChIKey of 2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid?
The InChIKey is QFWYFVVPQJZHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-8-11(4-5-14(10)19-3)6-7-16(2)13-9-12(13)15(17)18/h4-5,8,12-13H,6-7,9H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid?
2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117042778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).