1-(5-chloro-2-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine

C15H23ClFNO — CID 103049120

IUPAC1-(5-chloro-2-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine
SMILESCCCC(OCC)C(Cc1cc(Cl)ccc1F)NC
InChIInChI=1S/C15H23ClFNO/c1-4-6-15(19-5-2)14(18-3)10-11-9-12(16)7-8-13(11)17/h7-9,14-15,18H,4-6,10H2,1-3H3
InChIKeyINCOVIZOFOQCCL-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.81
Rot. Bonds8

About 1-(5-chloro-2-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine

1-(5-chloro-2-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine (PubChem CID 103049120) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine
PubChem CID103049120
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine
SMILESCCCC(OCC)C(Cc1cc(Cl)ccc1F)NC
InChIInChI=1S/C15H23ClFNO/c1-4-6-15(19-5-2)14(18-3)10-11-9-12(16)7-8-13(11)17/h7-9,14-15,18H,4-6,10H2,1-3H3
InChIKeyINCOVIZOFOQCCL-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,5-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine
CID 105271314
1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine
CID 116717748
1-(5-chloro-2-methoxyphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116717974
1-(4-chloro-2-fluorophenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116717986
1-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116717956
4-chloro-2-[2-(chloromethyl)pentyl]-1-fluorobenzene
CID 103051283
3-ethoxy-1-(2-fluorophenyl)-N-methylbutan-2-amine
CID 64533184
[1-(2,3-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine
CID 105271512
1-(3-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718090
1-(5-chloro-2-fluorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-2-amine
CID 103048477
1-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718406
1-(2-chloro-4-methylphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 106868795

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine (CID 103049120) is 1-(5-chloro-2-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine is CCCC(OCC)C(Cc1cc(Cl)ccc1F)NC.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine?
The InChIKey is INCOVIZOFOQCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO/c1-4-6-15(19-5-2)14(18-3)10-11-9-12(16)7-8-13(11)17/h7-9,14-15,18H,4-6,10H2,1-3H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine?
1-(5-chloro-2-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine has a molecular weight of 287.81 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine is sourced from PubChem (CID 103049120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).