1-(3-chloro-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine

C15H23ClFNO — CID 103031434

IUPAC1-(3-chloro-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1cccc(Cl)c1F
InChIInChI=1S/C15H23ClFNO/c1-5-18-13(9-10-15(2,3)19-4)11-7-6-8-12(16)14(11)17/h6-8,13,18H,5,9-10H2,1-4H3
InChIKeyUXEIQKXZIVJZFB-UHFFFAOYSA-N
MW287.81 g/mol
LogP4.33
Rot. Bonds7

About 1-(3-chloro-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine

1-(3-chloro-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (PubChem CID 103031434) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
PubChem CID103031434
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name1-(3-chloro-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
SMILESCCNC(CCC(C)(C)OC)c1cccc(Cl)c1F
InChIInChI=1S/C15H23ClFNO/c1-5-18-13(9-10-15(2,3)19-4)11-7-6-8-12(16)14(11)17/h6-8,13,18H,5,9-10H2,1-4H3
InChIKeyUXEIQKXZIVJZFB-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine (CID 103031434) is 1-(3-chloro-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine is CCNC(CCC(C)(C)OC)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
The InChIKey is UXEIQKXZIVJZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO/c1-5-18-13(9-10-15(2,3)19-4)11-7-6-8-12(16)14(11)17/h6-8,13,18H,5,9-10H2,1-4H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine?
1-(3-chloro-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine has a molecular weight of 287.81 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103031434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).