6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine

C14H18BrNO2 — CID 114709987

IUPAC6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(C2CCOCC2)Oc2ccc(Br)cc21
InChIInChI=1S/C14H18BrNO2/c15-10-1-2-13-11(7-10)12(16)8-14(18-13)9-3-5-17-6-4-9/h1-2,7,9,12,14H,3-6,8,16H2
InChIKeyWTHJUOPHOMTKFE-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.03
Rot. Bonds1

About 6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine

6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114709987) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114709987
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(C2CCOCC2)Oc2ccc(Br)cc21
InChIInChI=1S/C14H18BrNO2/c15-10-1-2-13-11(7-10)12(16)8-14(18-13)9-3-5-17-6-4-9/h1-2,7,9,12,14H,3-6,8,16H2
InChIKeyWTHJUOPHOMTKFE-UHFFFAOYSA-N
XLogP3.03
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
CID 104947533
6-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine
CID 114710103
(4S)-6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104951252
(4S)-6-methoxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946752
(4S)-7-bromo-2-cyclobutyl-3,4-dihydro-2H-chromen-4-amine
CID 104945810
6-bromo-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715586
(4S)-6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946305
(4R)-7-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine
CID 104945493
(4S)-7-bromo-2-cyclohexyl-3,4-dihydro-2H-chromen-4-amine
CID 104945742
(4R)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104947805
6-chloro-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
CID 114709076
(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-ol
CID 104951380

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine (CID 114709987) is 6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine is NC1CC(C2CCOCC2)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is WTHJUOPHOMTKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-10-1-2-13-11(7-10)12(16)8-14(18-13)9-3-5-17-6-4-9/h1-2,7,9,12,14H,3-6,8,16H2.
What are the key properties of 6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine?
6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 312.21 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114709987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).