1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine

C15H23ClFNO — CID 103024951

IUPAC1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
SMILESCCNC(Cc1c(F)cccc1Cl)CC(C)(C)OC
InChIInChI=1S/C15H23ClFNO/c1-5-18-11(10-15(2,3)19-4)9-12-13(16)7-6-8-14(12)17/h6-8,11,18H,5,9-10H2,1-4H3
InChIKeyXZZWYFUZOUYBQD-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.81
Rot. Bonds7

About 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine

1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine (PubChem CID 103024951) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
PubChem CID103024951
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
SMILESCCNC(Cc1c(F)cccc1Cl)CC(C)(C)OC
InChIInChI=1S/C15H23ClFNO/c1-5-18-11(10-15(2,3)19-4)9-12-13(16)7-6-8-14(12)17/h6-8,11,18H,5,9-10H2,1-4H3
InChIKeyXZZWYFUZOUYBQD-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-(2-chloro-6-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine (CID 103024951) is 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine is CCNC(Cc1c(F)cccc1Cl)CC(C)(C)OC.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine?
The InChIKey is XZZWYFUZOUYBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO/c1-5-18-11(10-15(2,3)19-4)9-12-13(16)7-6-8-14(12)17/h6-8,11,18H,5,9-10H2,1-4H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine?
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine has a molecular weight of 287.81 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 103024951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).