methyl 2-[4-(methylamino)phenyl]cyclopropane-1-carboxylate

C12H15NO2 — CID 59369268

IUPACmethyl 2-[4-(methylamino)phenyl]cyclopropane-1-carboxylate
SMILESCNc1ccc(C2CC2C(=O)OC)cc1
InChIInChI=1S/C12H15NO2/c1-13-9-5-3-8(4-6-9)10-7-11(10)12(14)15-2/h3-6,10-11,13H,7H2,1-2H3
InChIKeyXRQZRVSBPNUZTI-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.00
Rot. Bonds3

About methyl 2-[4-(methylamino)phenyl]cyclopropane-1-carboxylate

methyl 2-[4-(methylamino)phenyl]cyclopropane-1-carboxylate (PubChem CID 59369268) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 2-[4-(methylamino)phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(methylamino)phenyl]cyclopropane-1-carboxylate
PubChem CID59369268
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl 2-[4-(methylamino)phenyl]cyclopropane-1-carboxylate
SMILESCNc1ccc(C2CC2C(=O)OC)cc1
InChIInChI=1S/C12H15NO2/c1-13-9-5-3-8(4-6-9)10-7-11(10)12(14)15-2/h3-6,10-11,13H,7H2,1-2H3
InChIKeyXRQZRVSBPNUZTI-UHFFFAOYSA-N
XLogP2.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-methyl (1S,2S)-2-(4-aminophenyl)cyclopropane-1-carboxylate
CID 124585525
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
trans-methyl (1S,2S)-2-(4-cyanophenyl)cyclopropane-1-carboxylate
CID 132565923
trans-methyl (1S,2S)-2-(4-ethynylphenyl)cyclopropane-1-carboxylate
CID 124564799
trans-methyl (1S,2S)-2-[4-(dimethoxymethyl)phenyl]cyclopropane-1-carboxylate
CID 72544165
methyl 2-(4-chlorosulfanylphenyl)cyclopropane-1-carboxylate
CID 156652998
methyl 2-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylate
CID 87712134
methyl 2-[4-(2-chloroacetyl)phenyl]cyclopropane-1-carboxylate
CID 141133244
methyl 2-[4-(bromomethoxy)phenyl]cyclopropane-1-carboxylate
CID 172729107
cis-methyl (1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 125470953
dimethyl (1R,4S,5R,7R)-5-hydroxy-7-(4-methoxyphenyl)cycloheptane-1,4-dicarboxylate
CID 10616838
methyl 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylate
CID 174888993

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(methylamino)phenyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[4-(methylamino)phenyl]cyclopropane-1-carboxylate (CID 59369268) is methyl 2-[4-(methylamino)phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[4-(methylamino)phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[4-(methylamino)phenyl]cyclopropane-1-carboxylate is CNc1ccc(C2CC2C(=O)OC)cc1.
What is the InChIKey of methyl 2-[4-(methylamino)phenyl]cyclopropane-1-carboxylate?
The InChIKey is XRQZRVSBPNUZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13-9-5-3-8(4-6-9)10-7-11(10)12(14)15-2/h3-6,10-11,13H,7H2,1-2H3.
What are the key properties of methyl 2-[4-(methylamino)phenyl]cyclopropane-1-carboxylate?
methyl 2-[4-(methylamino)phenyl]cyclopropane-1-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(methylamino)phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 59369268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).