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

C15H19BrFNO — CID 103905794

IUPACN-[1-(2-bromo-4-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine
SMILESCC(NC1CCOC1C1CC1)c1ccc(F)cc1Br
InChIInChI=1S/C15H19BrFNO/c1-9(12-5-4-11(17)8-13(12)16)18-14-6-7-19-15(14)10-2-3-10/h4-5,8-10,14-15,18H,2-3,6-7H2,1H3
InChIKeyCQMPXJOWZFMQFR-UHFFFAOYSA-N
MW328.23 g/mol
LogP3.81
Rot. Bonds4

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

N-[1-(2-bromo-4-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine (PubChem CID 103905794) has the molecular formula C15H19BrFNO and a molecular weight of 328.23 g/mol. Its IUPAC name is N-[1-(2-bromo-4-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine.

Molecular Properties

Compound NameN-[1-(2-bromo-4-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine
PubChem CID103905794
Molecular FormulaC15H19BrFNO
Molecular Weight328.23 g/mol
Exact Mass327.06
IUPAC NameN-[1-(2-bromo-4-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine
SMILESCC(NC1CCOC1C1CC1)c1ccc(F)cc1Br
InChIInChI=1S/C15H19BrFNO/c1-9(12-5-4-11(17)8-13(12)16)18-14-6-7-19-15(14)10-2-3-10/h4-5,8-10,14-15,18H,2-3,6-7H2,1H3
InChIKeyCQMPXJOWZFMQFR-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]oxolan-3-amine
CID 103905775
2-[1-(2-bromo-4-fluorophenyl)ethylamino]cyclohexan-1-ol
CID 113261573
N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylcyclobutan-1-amine
CID 115892417
N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 103786780
N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-ethylpiperidin-4-amine
CID 103776164
2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-fluorobenzamide
CID 103864687
1-(2-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 103901638
1-(2-bromo-4-fluorophenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 113260327
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 82962821
N-[1-(3-fluorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335511
N-[1-(2,4-dibromophenyl)ethyl]-2-methylcyclopropan-1-amine
CID 62398713
(2R)-2-[1-(2-bromo-4-fluorophenyl)ethylamino]propan-1-ol
CID 103778517

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromo-4-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine?
The IUPAC name of N-[1-(2-bromo-4-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine (CID 103905794) is N-[1-(2-bromo-4-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine.
What is the SMILES notation for N-[1-(2-bromo-4-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine?
The canonical SMILES for N-[1-(2-bromo-4-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine is CC(NC1CCOC1C1CC1)c1ccc(F)cc1Br.
What is the InChIKey of N-[1-(2-bromo-4-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine?
The InChIKey is CQMPXJOWZFMQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c1-9(12-5-4-11(17)8-13(12)16)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-(2-bromo-4-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine?
N-[1-(2-bromo-4-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine has a molecular weight of 328.23 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromo-4-fluorophenyl)ethyl]-2-cyclopropyloxolan-3-amine is sourced from PubChem (CID 103905794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).