methyl 1-[methylamino-(2-methylphenyl)methyl]cyclobutane-1-carboxylate

C15H21NO2 — CID 116959124

IUPACmethyl 1-[methylamino-(2-methylphenyl)methyl]cyclobutane-1-carboxylate
SMILESCNC(c1ccccc1C)C1(C(=O)OC)CCC1
InChIInChI=1S/C15H21NO2/c1-11-7-4-5-8-12(11)13(16-2)15(9-6-10-15)14(17)18-3/h4-5,7-8,13,16H,6,9-10H2,1-3H3
InChIKeyLUQSINXSEKYCTF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.60
Rot. Bonds4

About methyl 1-[methylamino-(2-methylphenyl)methyl]cyclobutane-1-carboxylate

methyl 1-[methylamino-(2-methylphenyl)methyl]cyclobutane-1-carboxylate (PubChem CID 116959124) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 1-[methylamino-(2-methylphenyl)methyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[methylamino-(2-methylphenyl)methyl]cyclobutane-1-carboxylate
PubChem CID116959124
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 1-[methylamino-(2-methylphenyl)methyl]cyclobutane-1-carboxylate
SMILESCNC(c1ccccc1C)C1(C(=O)OC)CCC1
InChIInChI=1S/C15H21NO2/c1-11-7-4-5-8-12(11)13(16-2)15(9-6-10-15)14(17)18-3/h4-5,7-8,13,16H,6,9-10H2,1-3H3
InChIKeyLUQSINXSEKYCTF-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[(2-bromophenyl)-(methylamino)methyl]cyclobutane-1-carboxylate
CID 116959138
methyl 1-[(4-chlorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylate
CID 116959110
N-methyl-1-(2-methyloxan-2-yl)-1-(2-methylphenyl)methanamine
CID 80683443
N-methyl-1-(1-methylcyclohexyl)-1-(2-methylphenyl)methanamine
CID 106829818
1-[(2,5-dimethylphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958928
methyl 1-[amino-(2-fluorophenyl)methyl]cyclobutane-1-carboxylate
CID 116944325
methyl 1-[methylamino-(3-methylphenyl)methyl]cyclopropane-1-carboxylate
CID 116959191
1-[hydroxy-(2-methylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 105494496
N,N-dimethyl-1-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine
CID 79066063
1-(4-ethoxyoxan-4-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 116765719
methyl (2S,3S)-3-(1-hydroxycyclopentyl)oxy-2-methyl-3-(2-methylphenyl)propanoate
CID 144861695
methyl 1-[amino-(5-bromo-2-methylphenyl)methyl]cyclobutane-1-carboxylate
CID 116944322

Frequently Asked Questions

What is the IUPAC name of methyl 1-[methylamino-(2-methylphenyl)methyl]cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-[methylamino-(2-methylphenyl)methyl]cyclobutane-1-carboxylate (CID 116959124) is methyl 1-[methylamino-(2-methylphenyl)methyl]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-[methylamino-(2-methylphenyl)methyl]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-[methylamino-(2-methylphenyl)methyl]cyclobutane-1-carboxylate is CNC(c1ccccc1C)C1(C(=O)OC)CCC1.
What is the InChIKey of methyl 1-[methylamino-(2-methylphenyl)methyl]cyclobutane-1-carboxylate?
The InChIKey is LUQSINXSEKYCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-7-4-5-8-12(11)13(16-2)15(9-6-10-15)14(17)18-3/h4-5,7-8,13,16H,6,9-10H2,1-3H3.
What are the key properties of methyl 1-[methylamino-(2-methylphenyl)methyl]cyclobutane-1-carboxylate?
methyl 1-[methylamino-(2-methylphenyl)methyl]cyclobutane-1-carboxylate has a molecular weight of 247.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[methylamino-(2-methylphenyl)methyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 116959124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).