1-(5-chloro-2-fluorophenyl)-3-methoxy-N-propylpentan-2-amine

C15H23ClFNO — CID 103049114

IUPAC1-(5-chloro-2-fluorophenyl)-3-methoxy-N-propylpentan-2-amine
SMILESCCCNC(Cc1cc(Cl)ccc1F)C(CC)OC
InChIInChI=1S/C15H23ClFNO/c1-4-8-18-14(15(5-2)19-3)10-11-9-12(16)6-7-13(11)17/h6-7,9,14-15,18H,4-5,8,10H2,1-3H3
InChIKeyFWYVBRLBHBATLF-UHFFFAOYSA-N
MW287.81 g/mol
LogP3.81
Rot. Bonds8

About 1-(5-chloro-2-fluorophenyl)-3-methoxy-N-propylpentan-2-amine

1-(5-chloro-2-fluorophenyl)-3-methoxy-N-propylpentan-2-amine (PubChem CID 103049114) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-methoxy-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-methoxy-N-propylpentan-2-amine
PubChem CID103049114
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-methoxy-N-propylpentan-2-amine
SMILESCCCNC(Cc1cc(Cl)ccc1F)C(CC)OC
InChIInChI=1S/C15H23ClFNO/c1-4-8-18-14(15(5-2)19-3)10-11-9-12(16)6-7-13(11)17/h6-7,9,14-15,18H,4-5,8,10H2,1-3H3
InChIKeyFWYVBRLBHBATLF-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

Analyze 1-(5-chloro-2-fluorophenyl)-3-methoxy-N-propylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-methoxy-N-propylpentan-2-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-methoxy-N-propylpentan-2-amine (CID 103049114) is 1-(5-chloro-2-fluorophenyl)-3-methoxy-N-propylpentan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-methoxy-N-propylpentan-2-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-methoxy-N-propylpentan-2-amine is CCCNC(Cc1cc(Cl)ccc1F)C(CC)OC.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-methoxy-N-propylpentan-2-amine?
The InChIKey is FWYVBRLBHBATLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO/c1-4-8-18-14(15(5-2)19-3)10-11-9-12(16)6-7-13(11)17/h6-7,9,14-15,18H,4-5,8,10H2,1-3H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-methoxy-N-propylpentan-2-amine?
1-(5-chloro-2-fluorophenyl)-3-methoxy-N-propylpentan-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-methoxy-N-propylpentan-2-amine is sourced from PubChem (CID 103049114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).