6-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine

C16H22BrNO — CID 114710103

IUPAC6-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(C2CCCCCC2)Oc2ccc(Br)cc21
InChIInChI=1S/C16H22BrNO/c17-12-7-8-15-13(9-12)14(18)10-16(19-15)11-5-3-1-2-4-6-11/h7-9,11,14,16H,1-6,10,18H2
InChIKeyDFJCPJOWKWHAMW-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.57
Rot. Bonds1

About 6-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine

6-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114710103) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 6-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114710103
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name6-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(C2CCCCCC2)Oc2ccc(Br)cc21
InChIInChI=1S/C16H22BrNO/c17-12-7-8-15-13(9-12)14(18)10-16(19-15)11-5-3-1-2-4-6-11/h7-9,11,14,16H,1-6,10,18H2
InChIKeyDFJCPJOWKWHAMW-UHFFFAOYSA-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 6-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine (CID 114710103) is 6-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine is NC1CC(C2CCCCCC2)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is DFJCPJOWKWHAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c17-12-7-8-15-13(9-12)14(18)10-16(19-15)11-5-3-1-2-4-6-11/h7-9,11,14,16H,1-6,10,18H2.
What are the key properties of 6-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine?
6-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 6-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114710103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).