1-(2-chloro-5-fluorophenyl)-2-ethyl-N-methylbutan-1-amine

C13H19ClFN — CID 105397290

IUPAC1-(2-chloro-5-fluorophenyl)-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)C(NC)c1cc(F)ccc1Cl
InChIInChI=1S/C13H19ClFN/c1-4-9(5-2)13(16-3)11-8-10(15)6-7-12(11)14/h6-9,13,16H,4-5H2,1-3H3
InChIKeyOCGIJXMAJCDKDJ-UHFFFAOYSA-N
MW243.75 g/mol
LogP4.18
Rot. Bonds5

About 1-(2-chloro-5-fluorophenyl)-2-ethyl-N-methylbutan-1-amine

1-(2-chloro-5-fluorophenyl)-2-ethyl-N-methylbutan-1-amine (PubChem CID 105397290) has the molecular formula C13H19ClFN and a molecular weight of 243.75 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-2-ethyl-N-methylbutan-1-amine
PubChem CID105397290
Molecular FormulaC13H19ClFN
Molecular Weight243.75 g/mol
Exact Mass243.12
IUPAC Name1-(2-chloro-5-fluorophenyl)-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)C(NC)c1cc(F)ccc1Cl
InChIInChI=1S/C13H19ClFN/c1-4-9(5-2)13(16-3)11-8-10(15)6-7-12(11)14/h6-9,13,16H,4-5H2,1-3H3
InChIKeyOCGIJXMAJCDKDJ-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.75
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,5-difluorophenyl)-(methylamino)methyl]butan-1-ol
CID 116959875
1-(2-chloro-5-fluorophenyl)-2-ethylbutan-1-amine
CID 105397485
[1-(2-chloro-5-fluorophenyl)-2-ethylhexyl]hydrazine
CID 105398110
1-(2-chloro-5-fluorophenyl)-2-cyclopropyl-N-methylpropan-1-amine
CID 105396910
2-ethyl-N-methyl-1-(2,4,5-trifluorophenyl)butan-1-amine
CID 103302248
1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 105394946
1-(2-chloro-5-fluorophenyl)propan-1-ol
CID 105393866
1-(2-chloro-5-fluorophenyl)-N-methyl-2-methylsulfanylethanamine
CID 105394877
1-(2-chloro-5-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 105394908
1-(2-chloro-5-fluorophenyl)-2-(3-chlorophenoxy)-N-methylpropan-1-amine
CID 105397219
1-(2-chloro-5-fluorophenyl)-2-methyl-N-propylpentan-1-amine
CID 105396931
1-(2-chloro-5-fluorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 105395177

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-ethyl-N-methylbutan-1-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-2-ethyl-N-methylbutan-1-amine (CID 105397290) is 1-(2-chloro-5-fluorophenyl)-2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-2-ethyl-N-methylbutan-1-amine is CCC(CC)C(NC)c1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-2-ethyl-N-methylbutan-1-amine?
The InChIKey is OCGIJXMAJCDKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN/c1-4-9(5-2)13(16-3)11-8-10(15)6-7-12(11)14/h6-9,13,16H,4-5H2,1-3H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-2-ethyl-N-methylbutan-1-amine?
1-(2-chloro-5-fluorophenyl)-2-ethyl-N-methylbutan-1-amine has a molecular weight of 243.75 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 105397290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).