1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxyhexan-2-amine

C15H23ClFNO — CID 103049124

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

About 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxyhexan-2-amine

1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxyhexan-2-amine (PubChem CID 103049124) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxyhexan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxyhexan-2-amine
PubChem CID103049124
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxyhexan-2-amine
SMILESCCCC(OC)C(Cc1cc(Cl)ccc1F)NCC
InChIInChI=1S/C15H23ClFNO/c1-4-6-15(19-3)14(18-5-2)10-11-9-12(16)7-8-13(11)17/h7-9,14-15,18H,4-6,10H2,1-3H3
InChIKeyAUYDKJJFECWUDM-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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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxyhexan-2-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxyhexan-2-amine (CID 103049124) is 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxyhexan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxyhexan-2-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxyhexan-2-amine is CCCC(OC)C(Cc1cc(Cl)ccc1F)NCC.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxyhexan-2-amine?
The InChIKey is AUYDKJJFECWUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO/c1-4-6-15(19-3)14(18-5-2)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)-N-ethyl-3-methoxyhexan-2-amine?
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxyhexan-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)-N-ethyl-3-methoxyhexan-2-amine is sourced from PubChem (CID 103049124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).