1-(5-chloro-2-fluorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine

C16H23ClFNO — CID 103049068

IUPAC1-(5-chloro-2-fluorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cc(Cl)ccc1F)CC1CCOC1
InChIInChI=1S/C16H23ClFNO/c1-2-6-19-15(8-12-5-7-20-11-12)10-13-9-14(17)3-4-16(13)18/h3-4,9,12,15,19H,2,5-8,10-11H2,1H3
InChIKeyMGQVCWSHXSVUTO-UHFFFAOYSA-N
MW299.82 g/mol
LogP3.82
Rot. Bonds7

About 1-(5-chloro-2-fluorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine

1-(5-chloro-2-fluorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine (PubChem CID 103049068) has the molecular formula C16H23ClFNO and a molecular weight of 299.82 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
PubChem CID103049068
Molecular FormulaC16H23ClFNO
Molecular Weight299.82 g/mol
Exact Mass299.15
IUPAC Name1-(5-chloro-2-fluorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cc(Cl)ccc1F)CC1CCOC1
InChIInChI=1S/C16H23ClFNO/c1-2-6-19-15(8-12-5-7-20-11-12)10-13-9-14(17)3-4-16(13)18/h3-4,9,12,15,19H,2,5-8,10-11H2,1H3
InChIKeyMGQVCWSHXSVUTO-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine (CID 103049068) is 1-(5-chloro-2-fluorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine is CCCNC(Cc1cc(Cl)ccc1F)CC1CCOC1.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine?
The InChIKey is MGQVCWSHXSVUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFNO/c1-2-6-19-15(8-12-5-7-20-11-12)10-13-9-14(17)3-4-16(13)18/h3-4,9,12,15,19H,2,5-8,10-11H2,1H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine?
1-(5-chloro-2-fluorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine has a molecular weight of 299.82 g/mol, XLogP of 3.82, 7 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-(oxolan-3-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 103049068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).