methyl 1-[dimethylamino-(4-methoxyphenyl)methyl]cyclopropane-1-carboxylate

C15H21NO3 — CID 116912762

IUPACmethyl 1-[dimethylamino-(4-methoxyphenyl)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(c2ccc(OC)cc2)N(C)C)CC1
InChIInChI=1S/C15H21NO3/c1-16(2)13(15(9-10-15)14(17)19-4)11-5-7-12(18-3)8-6-11/h5-8,13H,9-10H2,1-4H3
InChIKeyRIOXIQRBYVZFSX-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.25
Rot. Bonds5

About methyl 1-[dimethylamino-(4-methoxyphenyl)methyl]cyclopropane-1-carboxylate

methyl 1-[dimethylamino-(4-methoxyphenyl)methyl]cyclopropane-1-carboxylate (PubChem CID 116912762) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 1-[dimethylamino-(4-methoxyphenyl)methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[dimethylamino-(4-methoxyphenyl)methyl]cyclopropane-1-carboxylate
PubChem CID116912762
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 1-[dimethylamino-(4-methoxyphenyl)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(c2ccc(OC)cc2)N(C)C)CC1
InChIInChI=1S/C15H21NO3/c1-16(2)13(15(9-10-15)14(17)19-4)11-5-7-12(18-3)8-6-11/h5-8,13H,9-10H2,1-4H3
InChIKeyRIOXIQRBYVZFSX-UHFFFAOYSA-N
XLogP2.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[(1R)-1-(4-methoxyphenyl)prop-2-enyl]cyclobutane-1-carboxylate
CID 134968785
1-[(4-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958932
methyl 1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylate
CID 22327445
3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934759
methyl 1-[1-(dimethylamino)propyl]cyclopropane-1-carboxylate
CID 116912747
2-(4-methoxyphenyl)-N,N-dimethylpropanamide
CID 20710885
2-(4-methoxyphenyl)-N',N'-dimethylpropanehydrazide
CID 116848056
2-methoxy-N-[1-(4-methoxyphenyl)ethyl]-N-methylpropanamide
CID 75493520
1-(4-methoxyphenyl)-N,N',N'-trimethylmethanediamine
CID 116909199
[1-(dimethylamino)cyclohexyl]-(4-methoxyphenyl)methanol
CID 79067098
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
2,3-dibromo-1,3-bis(4-methoxyphenyl)propan-1-one
CID 10895225

Frequently Asked Questions

What is the IUPAC name of methyl 1-[dimethylamino-(4-methoxyphenyl)methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[dimethylamino-(4-methoxyphenyl)methyl]cyclopropane-1-carboxylate (CID 116912762) is methyl 1-[dimethylamino-(4-methoxyphenyl)methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[dimethylamino-(4-methoxyphenyl)methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[dimethylamino-(4-methoxyphenyl)methyl]cyclopropane-1-carboxylate is COC(=O)C1(C(c2ccc(OC)cc2)N(C)C)CC1.
What is the InChIKey of methyl 1-[dimethylamino-(4-methoxyphenyl)methyl]cyclopropane-1-carboxylate?
The InChIKey is RIOXIQRBYVZFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16(2)13(15(9-10-15)14(17)19-4)11-5-7-12(18-3)8-6-11/h5-8,13H,9-10H2,1-4H3.
What are the key properties of methyl 1-[dimethylamino-(4-methoxyphenyl)methyl]cyclopropane-1-carboxylate?
methyl 1-[dimethylamino-(4-methoxyphenyl)methyl]cyclopropane-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[dimethylamino-(4-methoxyphenyl)methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 116912762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).