methyl 1-[methylamino-(3-methylphenyl)methyl]cyclopropane-1-carboxylate

C14H19NO2 — CID 116959191

IUPACmethyl 1-[methylamino-(3-methylphenyl)methyl]cyclopropane-1-carboxylate
SMILESCNC(c1cccc(C)c1)C1(C(=O)OC)CC1
InChIInChI=1S/C14H19NO2/c1-10-5-4-6-11(9-10)12(15-2)14(7-8-14)13(16)17-3/h4-6,9,12,15H,7-8H2,1-3H3
InChIKeyFIWGSZRIJKQDDM-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.21
Rot. Bonds4

About methyl 1-[methylamino-(3-methylphenyl)methyl]cyclopropane-1-carboxylate

methyl 1-[methylamino-(3-methylphenyl)methyl]cyclopropane-1-carboxylate (PubChem CID 116959191) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 1-[methylamino-(3-methylphenyl)methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[methylamino-(3-methylphenyl)methyl]cyclopropane-1-carboxylate
PubChem CID116959191
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 1-[methylamino-(3-methylphenyl)methyl]cyclopropane-1-carboxylate
SMILESCNC(c1cccc(C)c1)C1(C(=O)OC)CC1
InChIInChI=1S/C14H19NO2/c1-10-5-4-6-11(9-10)12(15-2)14(7-8-14)13(16)17-3/h4-6,9,12,15H,7-8H2,1-3H3
InChIKeyFIWGSZRIJKQDDM-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methylamino-(3-methylphenyl)methyl]cyclopropan-1-amine
CID 116961273
N-methyl-1-(1-methylcyclopentyl)-1-(3-methylphenyl)methanamine
CID 115790477
1-[(3-fluorophenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958196
1-[methylamino-(3-methylphenyl)methyl]cyclobutane-1-carbonitrile
CID 116958707
N-methyl-1-(1-methylcyclohexyl)-1-(3-methylphenyl)methanamine
CID 106829804
methyl 1-[(4-chlorophenyl)-(methylamino)methyl]cyclobutane-1-carboxylate
CID 116959110
N-methyl-1-(3-methylphenyl)-1-(1-phenylcyclopropyl)methanamine
CID 63080920
methyl 1-[methylamino-(2-methylphenyl)methyl]cyclobutane-1-carboxylate
CID 116959124
N-methyl-1-(3-methylphenyl)-1-(1-phenylcyclopentyl)methanamine
CID 63417580
1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958147
methyl 1-(3-methylphenyl)cyclopropane-1-carboxylate
CID 105444214
methyl 1-(3-methylphenyl)sulfanylcyclopropane-1-carboxylate
CID 117035109

Frequently Asked Questions

What is the IUPAC name of methyl 1-[methylamino-(3-methylphenyl)methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[methylamino-(3-methylphenyl)methyl]cyclopropane-1-carboxylate (CID 116959191) is methyl 1-[methylamino-(3-methylphenyl)methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[methylamino-(3-methylphenyl)methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[methylamino-(3-methylphenyl)methyl]cyclopropane-1-carboxylate is CNC(c1cccc(C)c1)C1(C(=O)OC)CC1.
What is the InChIKey of methyl 1-[methylamino-(3-methylphenyl)methyl]cyclopropane-1-carboxylate?
The InChIKey is FIWGSZRIJKQDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-5-4-6-11(9-10)12(15-2)14(7-8-14)13(16)17-3/h4-6,9,12,15H,7-8H2,1-3H3.
What are the key properties of methyl 1-[methylamino-(3-methylphenyl)methyl]cyclopropane-1-carboxylate?
methyl 1-[methylamino-(3-methylphenyl)methyl]cyclopropane-1-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[methylamino-(3-methylphenyl)methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 116959191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).