1-[2-(2,6-dichlorophenyl)oxan-3-yl]-N-methylmethanamine

C13H17Cl2NO — CID 79364625

IUPAC1-[2-(2,6-dichlorophenyl)oxan-3-yl]-N-methylmethanamine
SMILESCNCC1CCCOC1c1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-16-8-9-4-3-7-17-13(9)12-10(14)5-2-6-11(12)15/h2,5-6,9,13,16H,3-4,7-8H2,1H3
InChIKeyIWEUDHIROBWBNU-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.68
Rot. Bonds3

About 1-[2-(2,6-dichlorophenyl)oxan-3-yl]-N-methylmethanamine

1-[2-(2,6-dichlorophenyl)oxan-3-yl]-N-methylmethanamine (PubChem CID 79364625) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 1-[2-(2,6-dichlorophenyl)oxan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,6-dichlorophenyl)oxan-3-yl]-N-methylmethanamine
PubChem CID79364625
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name1-[2-(2,6-dichlorophenyl)oxan-3-yl]-N-methylmethanamine
SMILESCNCC1CCCOC1c1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-16-8-9-4-3-7-17-13(9)12-10(14)5-2-6-11(12)15/h2,5-6,9,13,16H,3-4,7-8H2,1H3
InChIKeyIWEUDHIROBWBNU-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

N-[[2-(2,6-dichlorophenyl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 79365400
N-[[2-(2-chloro-6-methoxyphenyl)oxan-3-yl]methyl]ethanamine
CID 104819149
1-[2-(2,5-difluorophenyl)oxan-3-yl]-N-methylmethanamine
CID 79365802
N-methyl-1-[2-(6-methyl-3-pyridinyl)oxan-3-yl]methanamine
CID 104824119
N-methyl-1-[2-(4-propan-2-yloxyphenyl)oxan-3-yl]methanamine
CID 79365715
1-(2-cyclopropyloxan-3-yl)-N-methylmethanamine
CID 79365541
N-methyl-1-[2-(3-methylimidazol-4-yl)oxan-3-yl]methanamine
CID 79365081
N-[(2-naphthalen-1-yloxan-3-yl)methyl]ethanamine
CID 79365816
N-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)oxan-3-yl]methanamine
CID 104772230
1-[2-(3-fluoro-4-methoxyphenyl)oxan-3-yl]-N-methylmethanamine
CID 79365083
N-[[2-(2-chloro-6-methoxyphenyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 104819146
1-[2-(1,5-dimethylpyrazol-4-yl)oxan-3-yl]-N-methylmethanamine
CID 79596667

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichlorophenyl)oxan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,6-dichlorophenyl)oxan-3-yl]-N-methylmethanamine (CID 79364625) is 1-[2-(2,6-dichlorophenyl)oxan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,6-dichlorophenyl)oxan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,6-dichlorophenyl)oxan-3-yl]-N-methylmethanamine is CNCC1CCCOC1c1c(Cl)cccc1Cl.
What is the InChIKey of 1-[2-(2,6-dichlorophenyl)oxan-3-yl]-N-methylmethanamine?
The InChIKey is IWEUDHIROBWBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-16-8-9-4-3-7-17-13(9)12-10(14)5-2-6-11(12)15/h2,5-6,9,13,16H,3-4,7-8H2,1H3.
What are the key properties of 1-[2-(2,6-dichlorophenyl)oxan-3-yl]-N-methylmethanamine?
1-[2-(2,6-dichlorophenyl)oxan-3-yl]-N-methylmethanamine 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-[2-(2,6-dichlorophenyl)oxan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 79364625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).