1-(2-chloro-6-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine

C13H17ClFNO — CID 114275397

IUPAC1-(2-chloro-6-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
SMILESCNC(c1c(F)cccc1Cl)C1OCCC1C
InChIInChI=1S/C13H17ClFNO/c1-8-6-7-17-13(8)12(16-2)11-9(14)4-3-5-10(11)15/h3-5,8,12-13,16H,6-7H2,1-2H3
InChIKeyKBQQSKAHRBYXHL-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.16
Rot. Bonds3

About 1-(2-chloro-6-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine

1-(2-chloro-6-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine (PubChem CID 114275397) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
PubChem CID114275397
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
SMILESCNC(c1c(F)cccc1Cl)C1OCCC1C
InChIInChI=1S/C13H17ClFNO/c1-8-6-7-17-13(8)12(16-2)11-9(14)4-3-5-10(11)15/h3-5,8,12-13,16H,6-7H2,1-2H3
InChIKeyKBQQSKAHRBYXHL-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 115801211
(2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanamine
CID 115859971
(2,6-difluorophenyl)-(3-methyloxolan-2-yl)methanol
CID 115799765
[(2-chloro-6-fluorophenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105311747
[2-(2-chloro-3-fluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]hydrazine
CID 105332898
N-methyl-1-(3-methyloxolan-2-yl)-1-(2-methylthiophen-3-yl)methanamine
CID 102840428
(2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanol
CID 115793140
(2-chlorophenyl)-(3-methyloxolan-2-yl)methanamine
CID 115801779
N-methyl-1-(3-methyloxolan-2-yl)-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018242
N-methyl-1-(3-methyloxolan-2-yl)-1-(5-methylthiophen-3-yl)methanamine
CID 104991316
1-(3-bromofuran-2-yl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine
CID 115861419
1-cyclopentyl-1-(2,6-dichlorophenyl)-N-methylmethanamine
CID 115778747

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine (CID 114275397) is 1-(2-chloro-6-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine is CNC(c1c(F)cccc1Cl)C1OCCC1C.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
The InChIKey is KBQQSKAHRBYXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-8-6-7-17-13(8)12(16-2)11-9(14)4-3-5-10(11)15/h3-5,8,12-13,16H,6-7H2,1-2H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine?
1-(2-chloro-6-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine has a molecular weight of 257.74 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-methyl-1-(3-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 114275397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).