N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine

C15H19ClFNO — CID 103905892

IUPACN-[1-(4-chloro-3-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine
SMILESCC(NC1CCOC1C1CC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H19ClFNO/c1-9(11-4-5-12(16)13(17)8-11)18-14-6-7-19-15(14)10-2-3-10/h4-5,8-10,14-15,18H,2-3,6-7H2,1H3
InChIKeyQBMIAYJFLZTXRJ-UHFFFAOYSA-N
MW283.77 g/mol
LogP3.70
Rot. Bonds4

About N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine

N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine (PubChem CID 103905892) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine
PubChem CID103905892
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine
SMILESCC(NC1CCOC1C1CC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H19ClFNO/c1-9(11-4-5-12(16)13(17)8-11)18-14-6-7-19-15(14)10-2-3-10/h4-5,8-10,14-15,18H,2-3,6-7H2,1H3
InChIKeyQBMIAYJFLZTXRJ-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine (CID 103905892) is N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine is CC(NC1CCOC1C1CC1)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine?
The InChIKey is QBMIAYJFLZTXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c1-9(11-4-5-12(16)13(17)8-11)18-14-6-7-19-15(14)10-2-3-10/h4-5,8-10,14-15,18H,2-3,6-7H2,1H3.
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine?
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine has a molecular weight of 283.77 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine is sourced from PubChem (CID 103905892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).