1-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol

C13H17ClFNO — CID 71854314

IUPAC1-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol
SMILESCN(Cc1c(F)cccc1Cl)CC1(O)CCC1
InChIInChI=1S/C13H17ClFNO/c1-16(9-13(17)6-3-7-13)8-10-11(14)4-2-5-12(10)15/h2,4-5,17H,3,6-9H2,1H3
InChIKeyTXNUTERBXCBMOO-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.83
Rot. Bonds4

About 1-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol

1-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol (PubChem CID 71854314) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 1-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol
PubChem CID71854314
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name1-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol
SMILESCN(Cc1c(F)cccc1Cl)CC1(O)CCC1
InChIInChI=1S/C13H17ClFNO/c1-16(9-13(17)6-3-7-13)8-10-11(14)4-2-5-12(10)15/h2,4-5,17H,3,6-9H2,1H3
InChIKeyTXNUTERBXCBMOO-UHFFFAOYSA-N
XLogP2.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl-methylamino]propan-2-ol
CID 62333927
2-chloro-6-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 115759842
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
[1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol
CID 66024328
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 98620369
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 8709179
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-pyridinyl)acetamide
CID 18087925
1-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 114948795
3-fluoro-2-[(1-hydroxycyclopentyl)methyl-methylamino]benzaldehyde
CID 114067171
1-[[(2,4-dichloro-6-methyl-3-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 114952614
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 2699425
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide
CID 9197045

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol (CID 71854314) is 1-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol is CN(Cc1c(F)cccc1Cl)CC1(O)CCC1.
What is the InChIKey of 1-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol?
The InChIKey is TXNUTERBXCBMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-16(9-13(17)6-3-7-13)8-10-11(14)4-2-5-12(10)15/h2,4-5,17H,3,6-9H2,1H3.
What are the key properties of 1-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol?
1-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]cyclobutan-1-ol has a molecular weight of 257.74 g/mol, XLogP of 2.83, 4 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)methyl-methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 71854314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).