3-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyloxolan-3-amine

C14H16BrF2NO — CID 106273565

IUPAC3-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyloxolan-3-amine
SMILESNC1(Cc2c(F)ccc(Br)c2F)CCOC1C1CC1
InChIInChI=1S/C14H16BrF2NO/c15-10-3-4-11(16)9(12(10)17)7-14(18)5-6-19-13(14)8-1-2-8/h3-4,8,13H,1-2,5-7,18H2
InChIKeyLSZKGJMZZMEOSU-UHFFFAOYSA-N
MW332.19 g/mol
LogP3.17
Rot. Bonds3

About 3-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyloxolan-3-amine

3-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyloxolan-3-amine (PubChem CID 106273565) has the molecular formula C14H16BrF2NO and a molecular weight of 332.19 g/mol. Its IUPAC name is 3-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyloxolan-3-amine.

Molecular Properties

Compound Name3-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyloxolan-3-amine
PubChem CID106273565
Molecular FormulaC14H16BrF2NO
Molecular Weight332.19 g/mol
Exact Mass331.04
IUPAC Name3-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyloxolan-3-amine
SMILESNC1(Cc2c(F)ccc(Br)c2F)CCOC1C1CC1
InChIInChI=1S/C14H16BrF2NO/c15-10-3-4-11(16)9(12(10)17)7-14(18)5-6-19-13(14)8-1-2-8/h3-4,8,13H,1-2,5-7,18H2
InChIKeyLSZKGJMZZMEOSU-UHFFFAOYSA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromo-2,6-difluorophenyl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 106273632
3-[(3-bromo-5-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 113420895
4-amino-1-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexan-1-ol
CID 106265494
2-[(3-bromo-2,6-difluorophenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 106273551
1-[(3-bromo-2,6-difluorophenyl)methyl]-4-tert-butylcyclohexan-1-amine
CID 106265793
2-cyclopropyl-3-[(5-fluoro-2-methylphenyl)methyl]oxolan-3-amine
CID 105375834
[1-[(3-bromo-2,6-difluorophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine
CID 106273588
2-(3-bromo-2,6-difluorophenyl)-1-(oxolan-2-yl)ethanamine
CID 106267560
2-cyclopropyl-3-propyloxolan-3-amine
CID 104510271
[1-[(3-bromo-2,6-difluorophenyl)methyl]cyclopentyl]methanol
CID 106273685
1-(3-bicyclo[3.1.0]hexanyl)-2-(3-bromo-2,6-difluorophenyl)ethanamine
CID 106273642
1-[(3-bromo-2,6-difluorophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 106265387

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyloxolan-3-amine?
The IUPAC name of 3-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyloxolan-3-amine (CID 106273565) is 3-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyloxolan-3-amine.
What is the SMILES notation for 3-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyloxolan-3-amine?
The canonical SMILES for 3-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyloxolan-3-amine is NC1(Cc2c(F)ccc(Br)c2F)CCOC1C1CC1.
What is the InChIKey of 3-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyloxolan-3-amine?
The InChIKey is LSZKGJMZZMEOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF2NO/c15-10-3-4-11(16)9(12(10)17)7-14(18)5-6-19-13(14)8-1-2-8/h3-4,8,13H,1-2,5-7,18H2.
What are the key properties of 3-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyloxolan-3-amine?
3-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyloxolan-3-amine has a molecular weight of 332.19 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-2,6-difluorophenyl)methyl]-2-cyclopropyloxolan-3-amine is sourced from PubChem (CID 106273565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).