1-(2-chloro-6-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine

C16H25ClFNO — CID 103024952

IUPAC1-(2-chloro-6-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1c(F)cccc1Cl)CC(C)(C)OC
InChIInChI=1S/C16H25ClFNO/c1-5-9-19-12(11-16(2,3)20-4)10-13-14(17)7-6-8-15(13)18/h6-8,12,19H,5,9-11H2,1-4H3
InChIKeyQHGHZUNGPDNDNU-UHFFFAOYSA-N
MW301.83 g/mol
LogP4.20
Rot. Bonds8

About 1-(2-chloro-6-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine

1-(2-chloro-6-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine (PubChem CID 103024952) has the molecular formula C16H25ClFNO and a molecular weight of 301.83 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
PubChem CID103024952
Molecular FormulaC16H25ClFNO
Molecular Weight301.83 g/mol
Exact Mass301.16
IUPAC Name1-(2-chloro-6-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1c(F)cccc1Cl)CC(C)(C)OC
InChIInChI=1S/C16H25ClFNO/c1-5-9-19-12(11-16(2,3)20-4)10-13-14(17)7-6-8-15(13)18/h6-8,12,19H,5,9-11H2,1-4H3
InChIKeyQHGHZUNGPDNDNU-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
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)-4-methoxy-4-methyl-N-propylpentan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine (CID 103024952) is 1-(2-chloro-6-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine is CCCNC(Cc1c(F)cccc1Cl)CC(C)(C)OC.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
The InChIKey is QHGHZUNGPDNDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClFNO/c1-5-9-19-12(11-16(2,3)20-4)10-13-14(17)7-6-8-15(13)18/h6-8,12,19H,5,9-11H2,1-4H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine?
1-(2-chloro-6-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine has a molecular weight of 301.83 g/mol, XLogP of 4.20, 8 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)-4-methoxy-4-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 103024952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).