(4R)-7-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine

C16H22BrNO — CID 104945493

IUPAC(4R)-7-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(C2CCCCCC2)Oc2cc(Br)ccc21
InChIInChI=1S/C16H22BrNO/c17-12-7-8-13-14(18)10-15(19-16(13)9-12)11-5-3-1-2-4-6-11/h7-9,11,14-15H,1-6,10,18H2/t14-,15?/m1/s1
InChIKeyANNPZMYSWDYGJJ-GICMACPYSA-N
MW324.26 g/mol
LogP4.57
Rot. Bonds1

About (4R)-7-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine

(4R)-7-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104945493) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is (4R)-7-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-7-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID104945493
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name(4R)-7-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(C2CCCCCC2)Oc2cc(Br)ccc21
InChIInChI=1S/C16H22BrNO/c17-12-7-8-13-14(18)10-15(19-16(13)9-12)11-5-3-1-2-4-6-11/h7-9,11,14-15H,1-6,10,18H2/t14-,15?/m1/s1
InChIKeyANNPZMYSWDYGJJ-GICMACPYSA-N
XLogP4.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-7-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-7-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine (CID 104945493) is (4R)-7-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-7-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-7-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine is N[C@@H]1CC(C2CCCCCC2)Oc2cc(Br)ccc21.
What is the InChIKey of (4R)-7-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ANNPZMYSWDYGJJ-GICMACPYSA-N. The full InChI is InChI=1S/C16H22BrNO/c17-12-7-8-13-14(18)10-15(19-16(13)9-12)11-5-3-1-2-4-6-11/h7-9,11,14-15H,1-6,10,18H2/t14-,15?/m1/s1.
What are the key properties of (4R)-7-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine?
(4R)-7-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 324.26 g/mol, XLogP of 4.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104945493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).