2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine

C14H19ClFNO — CID 102619155

IUPAC2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine
SMILESCNC(Cc1cc(F)ccc1Cl)C1(C)CCCO1
InChIInChI=1S/C14H19ClFNO/c1-14(6-3-7-18-14)13(17-2)9-10-8-11(16)4-5-12(10)15/h4-5,8,13,17H,3,6-7,9H2,1-2H3
InChIKeyCOWUNEMMDOZEHT-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.18
Rot. Bonds4

About 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine

2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine (PubChem CID 102619155) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine
PubChem CID102619155
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine
SMILESCNC(Cc1cc(F)ccc1Cl)C1(C)CCCO1
InChIInChI=1S/C14H19ClFNO/c1-14(6-3-7-18-14)13(17-2)9-10-8-11(16)4-5-12(10)15/h4-5,8,13,17H,3,6-7,9H2,1-2H3
InChIKeyCOWUNEMMDOZEHT-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dichlorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine
CID 107308880
2-(2-chloro-5-fluorophenyl)-1-(1-methylcyclohexyl)ethanol
CID 106831059
[(2-chloro-5-fluorophenyl)-(2-methyloxolan-2-yl)methyl]hydrazine
CID 105397915
N-[(2-chloro-5-fluorophenyl)-(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 105395284
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 102622604
1-[2-(2-chloro-5-fluorophenyl)-1-hydrazinylethyl]-N,N-dimethylcyclopentan-1-amine
CID 102623370
2-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine
CID 80685372
2-(3-bromo-4-fluorophenyl)-N-methyl-1-(2-methyloxan-2-yl)ethanamine
CID 80685504
N-methyl-1-(2-methyloxan-2-yl)-2-phenylethanamine
CID 80685072
N-[2-(4-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethyl]propan-1-amine
CID 107885030
2-(2-bromo-5-fluorophenyl)-N-methyl-1-(1-methylcyclopentyl)ethanamine
CID 115843879
2-(3-chloro-4-fluorophenyl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
CID 103040345

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine (CID 102619155) is 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine is CNC(Cc1cc(F)ccc1Cl)C1(C)CCCO1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine?
The InChIKey is COWUNEMMDOZEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-14(6-3-7-18-14)13(17-2)9-10-8-11(16)4-5-12(10)15/h4-5,8,13,17H,3,6-7,9H2,1-2H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine?
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine has a molecular weight of 271.76 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 102619155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).