1-(3,4-dichlorophenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine

C13H17Cl2NO — CID 79760213

IUPAC1-(3,4-dichlorophenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
SMILESCNC(c1ccc(Cl)c(Cl)c1)C1CCOC1C
InChIInChI=1S/C13H17Cl2NO/c1-8-10(5-6-17-8)13(16-2)9-3-4-11(14)12(15)7-9/h3-4,7-8,10,13,16H,5-6H2,1-2H3
InChIKeyCPJVMYKEVASWLO-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.68
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine

1-(3,4-dichlorophenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine (PubChem CID 79760213) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
PubChem CID79760213
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name1-(3,4-dichlorophenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
SMILESCNC(c1ccc(Cl)c(Cl)c1)C1CCOC1C
InChIInChI=1S/C13H17Cl2NO/c1-8-10(5-6-17-8)13(16-2)9-3-4-11(14)12(15)7-9/h3-4,7-8,10,13,16H,5-6H2,1-2H3
InChIKeyCPJVMYKEVASWLO-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-diethylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 115482207
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79758919
1-(4-cyclohexylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79755102
1-(2-chloro-4,5-difluorophenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 107476133
1-(2-chloro-4-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 79760034
1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 105051662
1-(3,4-dichlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 81492344
1-(3,4-dichlorophenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 81491757
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 113425485
1-(2-chloro-4-fluoro-5-methylphenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 81045363
N-methyl-1-(2-methyloxolan-3-yl)-1-(1,2-thiazol-5-yl)methanamine
CID 131015363
N-methyl-1-(2-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine
CID 79758920

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine (CID 79760213) is 1-(3,4-dichlorophenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine is CNC(c1ccc(Cl)c(Cl)c1)C1CCOC1C.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
The InChIKey is CPJVMYKEVASWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-8-10(5-6-17-8)13(16-2)9-3-4-11(14)12(15)7-9/h3-4,7-8,10,13,16H,5-6H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine?
1-(3,4-dichlorophenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine has a molecular weight of 274.19 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 79760213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).