(4R)-8-bromo-6-tert-butyl-3,4-dihydro-2H-chromen-4-amine

C13H18BrNO — CID 131380800

IUPAC(4R)-8-bromo-6-tert-butyl-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)(C)c1cc(Br)c2c(c1)[C@H](N)CCO2
InChIInChI=1S/C13H18BrNO/c1-13(2,3)8-6-9-11(15)4-5-16-12(9)10(14)7-8/h6-7,11H,4-5,15H2,1-3H3/t11-/m1/s1
InChIKeyVFZKAICIDJIJGL-LLVKDONJSA-N
MW284.20 g/mol
LogP3.53
Rot. Bonds

About (4R)-8-bromo-6-tert-butyl-3,4-dihydro-2H-chromen-4-amine

(4R)-8-bromo-6-tert-butyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 131380800) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is (4R)-8-bromo-6-tert-butyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-8-bromo-6-tert-butyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID131380800
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name(4R)-8-bromo-6-tert-butyl-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)(C)c1cc(Br)c2c(c1)[C@H](N)CCO2
InChIInChI=1S/C13H18BrNO/c1-13(2,3)8-6-9-11(15)4-5-16-12(9)10(14)7-8/h6-7,11H,4-5,15H2,1-3H3/t11-/m1/s1
InChIKeyVFZKAICIDJIJGL-LLVKDONJSA-N
XLogP3.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-6,8-dibromo-3,4-dihydro-2H-chromen-4-amine
CID 67303952
(4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 103693937
(4R)-4-amino-8-bromo-3,4-dihydro-2H-chromene-6-carboxylic acid
CID 131275088
(4S)-8-bromo-6-nitro-3,4-dihydro-2H-chromen-4-amine
CID 131600145
(4S)-6-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252186
(4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 91844828
8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 71432700
(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 42220750
5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512484
9-tert-butyl-7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43155021
6-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 55293947
(4R)-8-iodo-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 131173128

Frequently Asked Questions

What is the IUPAC name of (4R)-8-bromo-6-tert-butyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-8-bromo-6-tert-butyl-3,4-dihydro-2H-chromen-4-amine (CID 131380800) is (4R)-8-bromo-6-tert-butyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-8-bromo-6-tert-butyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-8-bromo-6-tert-butyl-3,4-dihydro-2H-chromen-4-amine is CC(C)(C)c1cc(Br)c2c(c1)[C@H](N)CCO2.
What is the InChIKey of (4R)-8-bromo-6-tert-butyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is VFZKAICIDJIJGL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-13(2,3)8-6-9-11(15)4-5-16-12(9)10(14)7-8/h6-7,11H,4-5,15H2,1-3H3/t11-/m1/s1.
What are the key properties of (4R)-8-bromo-6-tert-butyl-3,4-dihydro-2H-chromen-4-amine?
(4R)-8-bromo-6-tert-butyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 284.20 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-bromo-6-tert-butyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 131380800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).