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

C13H19ClFNO — CID 103029297

IUPAC1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(N)Cc1cccc(F)c1Cl
InChIInChI=1S/C13H19ClFNO/c1-13(2,17-3)8-10(16)7-9-5-4-6-11(15)12(9)14/h4-6,10H,7-8,16H2,1-3H3
InChIKeyDXUHPFUKXVYOOL-UHFFFAOYSA-N
MW259.75 g/mol
LogP3.16
Rot. Bonds5

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

1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-amine (PubChem CID 103029297) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-amine
PubChem CID103029297
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(N)Cc1cccc(F)c1Cl
InChIInChI=1S/C13H19ClFNO/c1-13(2,17-3)8-10(16)7-9-5-4-6-11(15)12(9)14/h4-6,10H,7-8,16H2,1-3H3
InChIKeyDXUHPFUKXVYOOL-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-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-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-amine (CID 103029297) is 1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-amine is COC(C)(C)CC(N)Cc1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-amine?
The InChIKey is DXUHPFUKXVYOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFNO/c1-13(2,17-3)8-10(16)7-9-5-4-6-11(15)12(9)14/h4-6,10H,7-8,16H2,1-3H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-amine?
1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-amine has a molecular weight of 259.75 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 103029297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).