2-(3,4-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethanamine

C13H17Cl2NO — CID 114825906

IUPAC2-(3,4-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
SMILESCC1CC(C(N)Cc2ccc(Cl)c(Cl)c2)CO1
InChIInChI=1S/C13H17Cl2NO/c1-8-4-10(7-17-8)13(16)6-9-2-3-11(14)12(15)5-9/h2-3,5,8,10,13H,4,6-7,16H2,1H3
InChIKeyXGMXHLSORBUAKN-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.29
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethanamine

2-(3,4-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethanamine (PubChem CID 114825906) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
PubChem CID114825906
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name2-(3,4-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
SMILESCC1CC(C(N)Cc2ccc(Cl)c(Cl)c2)CO1
InChIInChI=1S/C13H17Cl2NO/c1-8-4-10(7-17-8)13(16)6-9-2-3-11(14)12(15)5-9/h2-3,5,8,10,13H,4,6-7,16H2,1H3
InChIKeyXGMXHLSORBUAKN-UHFFFAOYSA-N
XLogP3.29
TPSA35.25 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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)ethanamine
CID 64729510
2-(3-bromo-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115819109
2-(3,4-dichlorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine
CID 64739450
2-(2,6-difluorophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 114825914
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 107892140
4-[1-bromo-2-(4-chlorophenyl)ethyl]-2-methyloxolane
CID 114823010
1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63527651
[2-(2,5-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethyl]hydrazine
CID 105309927
4-[2-chloro-2-(5-methyloxolan-3-yl)ethyl]pyridine
CID 114823994
1-(5-methyloxolan-3-yl)-3-phenylpropan-1-amine
CID 115794492
[2-(3-chlorophenyl)-1-(5-methyloxolan-3-yl)ethyl]hydrazine
CID 105283511
2-(3-chloro-4-fluorophenyl)-1-(3-methylcyclohexyl)ethanamine
CID 103039934

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethanamine (CID 114825906) is 2-(3,4-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethanamine is CC1CC(C(N)Cc2ccc(Cl)c(Cl)c2)CO1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethanamine?
The InChIKey is XGMXHLSORBUAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-8-4-10(7-17-8)13(16)6-9-2-3-11(14)12(15)5-9/h2-3,5,8,10,13H,4,6-7,16H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethanamine?
2-(3,4-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethanamine has a molecular weight of 274.19 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(5-methyloxolan-3-yl)ethanamine is sourced from PubChem (CID 114825906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).