2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine

C16H23ClFN — CID 102622604

IUPAC2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
SMILESCNC(Cc1cc(F)ccc1Cl)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H23ClFN/c1-15(2)14(16(15,3)4)13(19-5)9-10-8-11(18)6-7-12(10)17/h6-8,13-14,19H,9H2,1-5H3
InChIKeyXGCPCOLXWYIDJJ-UHFFFAOYSA-N
MW283.82 g/mol
LogP4.29
Rot. Bonds4

About 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine

2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine (PubChem CID 102622604) has the molecular formula C16H23ClFN and a molecular weight of 283.82 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
PubChem CID102622604
Molecular FormulaC16H23ClFN
Molecular Weight283.82 g/mol
Exact Mass283.15
IUPAC Name2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
SMILESCNC(Cc1cc(F)ccc1Cl)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H23ClFN/c1-15(2)14(16(15,3)4)13(19-5)9-10-8-11(18)6-7-12(10)17/h6-8,13-14,19H,9H2,1-5H3
InChIKeyXGCPCOLXWYIDJJ-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-5-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-N-methylethanamine
CID 102619421
1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 102618565
2-(2-chloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 102622559
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine
CID 102619155
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444833
1-(2-chloro-5-fluorophenyl)propan-2-ylhydrazine
CID 102623253
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-methylethanamine
CID 102619427
2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 102618021
2-(2-chloro-5-fluorophenyl)-1-(3,4-difluorophenyl)-N-methylethanamine
CID 102618536
3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol
CID 102618230
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 102618613
2-(2-chloro-5-fluorophenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 102622705

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine (CID 102622604) is 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine is CNC(Cc1cc(F)ccc1Cl)C1C(C)(C)C1(C)C.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
The InChIKey is XGCPCOLXWYIDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN/c1-15(2)14(16(15,3)4)13(19-5)9-10-8-11(18)6-7-12(10)17/h6-8,13-14,19H,9H2,1-5H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine?
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine has a molecular weight of 283.82 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine is sourced from PubChem (CID 102622604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).