2-[(2-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid

C15H21NO3 — CID 115221411

IUPAC2-[(2-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid
SMILESCOc1c(C)cc(C)cc1N(C)CC1CC1C(=O)O
InChIInChI=1S/C15H21NO3/c1-9-5-10(2)14(19-4)13(6-9)16(3)8-11-7-12(11)15(17)18/h5-6,11-12H,7-8H2,1-4H3,(H,17,18)
InChIKeySKBUEYHVARFIDF-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.47
Rot. Bonds5

About 2-[(2-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid

2-[(2-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 115221411) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(2-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid
PubChem CID115221411
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[(2-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid
SMILESCOc1c(C)cc(C)cc1N(C)CC1CC1C(=O)O
InChIInChI=1S/C15H21NO3/c1-9-5-10(2)14(19-4)13(6-9)16(3)8-11-7-12(11)15(17)18/h5-6,11-12H,7-8H2,1-4H3,(H,17,18)
InChIKeySKBUEYHVARFIDF-UHFFFAOYSA-N
XLogP2.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(N,2,4-trimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221380
2-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221393
2-[(N,2-dimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221435
(2-methoxy-3,5-dimethylphenyl)-methylcarbamic acid
CID 115170741
2-amino-4-(2-methoxy-N,3,5-trimethylanilino)butanoic acid
CID 115241124
3-(2-methoxy-N,3,5-trimethylanilino)-3-oxopropanoic acid
CID 115163317
2-[(2,4-difluoro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221405
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,3,5-trimethylaniline
CID 115243996
3-amino-N-(2-methoxy-3,5-dimethylphenyl)-N-methylcyclobutane-1-carboxamide
CID 115161425
[3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248903
2-[(4-fluoro-N,3-dimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221370
2-[(3-chloro-4-methoxy-N-methylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221377

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(2-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid (CID 115221411) is 2-[(2-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(2-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid is COc1c(C)cc(C)cc1N(C)CC1CC1C(=O)O.
What is the InChIKey of 2-[(2-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is SKBUEYHVARFIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-9-5-10(2)14(19-4)13(6-9)16(3)8-11-7-12(11)15(17)18/h5-6,11-12H,7-8H2,1-4H3,(H,17,18).
What are the key properties of 2-[(2-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid?
2-[(2-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115221411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).