1-(3-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine

C16H25ClFNO — CID 103031423

IUPAC1-(3-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H25ClFNO/c1-5-10-19-15(8-9-16(2,3)20-4)12-6-7-14(18)13(17)11-12/h6-7,11,15,19H,5,8-10H2,1-4H3
InChIKeyOGZREUGBQPXYIF-UHFFFAOYSA-N
MW301.83 g/mol
LogP4.72
Rot. Bonds8

About 1-(3-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine

1-(3-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine (PubChem CID 103031423) has the molecular formula C16H25ClFNO and a molecular weight of 301.83 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
PubChem CID103031423
Molecular FormulaC16H25ClFNO
Molecular Weight301.83 g/mol
Exact Mass301.16
IUPAC Name1-(3-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H25ClFNO/c1-5-10-19-15(8-9-16(2,3)20-4)12-6-7-14(18)13(17)11-12/h6-7,11,15,19H,5,8-10H2,1-4H3
InChIKeyOGZREUGBQPXYIF-UHFFFAOYSA-N
XLogP4.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.83
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine (CID 103031423) is 1-(3-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine is CCCNC(CCC(C)(C)OC)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
The InChIKey is OGZREUGBQPXYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClFNO/c1-5-10-19-15(8-9-16(2,3)20-4)12-6-7-14(18)13(17)11-12/h6-7,11,15,19H,5,8-10H2,1-4H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine?
1-(3-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine has a molecular weight of 301.83 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 103031423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).