(2R)-1-(4-bromo-2-fluorophenyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine

C15H19BrFNO — CID 97236424

IUPAC(2R)-1-(4-bromo-2-fluorophenyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine
SMILESC[C@H](Cc1ccc(Br)cc1F)NCC1=CCCOC1
InChIInChI=1S/C15H19BrFNO/c1-11(18-9-12-3-2-6-19-10-12)7-13-4-5-14(16)8-15(13)17/h3-5,8,11,18H,2,6-7,9-10H2,1H3/t11-/m1/s1
InChIKeyRRNXGAZWHDFFNI-LLVKDONJSA-N
MW328.23 g/mol
LogP3.46
Rot. Bonds5

About (2R)-1-(4-bromo-2-fluorophenyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine

(2R)-1-(4-bromo-2-fluorophenyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine (PubChem CID 97236424) has the molecular formula C15H19BrFNO and a molecular weight of 328.23 g/mol. Its IUPAC name is (2R)-1-(4-bromo-2-fluorophenyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-bromo-2-fluorophenyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine
PubChem CID97236424
Molecular FormulaC15H19BrFNO
Molecular Weight328.23 g/mol
Exact Mass327.06
IUPAC Name(2R)-1-(4-bromo-2-fluorophenyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine
SMILESC[C@H](Cc1ccc(Br)cc1F)NCC1=CCCOC1
InChIInChI=1S/C15H19BrFNO/c1-11(18-9-12-3-2-6-19-10-12)7-13-4-5-14(16)8-15(13)17/h3-5,8,11,18H,2,6-7,9-10H2,1H3/t11-/m1/s1
InChIKeyRRNXGAZWHDFFNI-LLVKDONJSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-bromo-2-fluorophenyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine?
The IUPAC name of (2R)-1-(4-bromo-2-fluorophenyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine (CID 97236424) is (2R)-1-(4-bromo-2-fluorophenyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(4-bromo-2-fluorophenyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine?
The canonical SMILES for (2R)-1-(4-bromo-2-fluorophenyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine is C[C@H](Cc1ccc(Br)cc1F)NCC1=CCCOC1.
What is the InChIKey of (2R)-1-(4-bromo-2-fluorophenyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine?
The InChIKey is RRNXGAZWHDFFNI-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19BrFNO/c1-11(18-9-12-3-2-6-19-10-12)7-13-4-5-14(16)8-15(13)17/h3-5,8,11,18H,2,6-7,9-10H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-1-(4-bromo-2-fluorophenyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine?
(2R)-1-(4-bromo-2-fluorophenyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine has a molecular weight of 328.23 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-bromo-2-fluorophenyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propan-2-amine is sourced from PubChem (CID 97236424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).