(4S)-7-bromo-2-cyclobutyl-3,4-dihydro-2H-chromen-4-amine

C13H16BrNO — CID 104945810

IUPAC(4S)-7-bromo-2-cyclobutyl-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CC(C2CCC2)Oc2cc(Br)ccc21
InChIInChI=1S/C13H16BrNO/c14-9-4-5-10-11(15)7-12(8-2-1-3-8)16-13(10)6-9/h4-6,8,11-12H,1-3,7,15H2/t11-,12?/m0/s1
InChIKeyWEZLLNBDIAMUMO-PXYINDEMSA-N
MW282.18 g/mol
LogP3.40
Rot. Bonds1

About (4S)-7-bromo-2-cyclobutyl-3,4-dihydro-2H-chromen-4-amine

(4S)-7-bromo-2-cyclobutyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104945810) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is (4S)-7-bromo-2-cyclobutyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-7-bromo-2-cyclobutyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID104945810
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name(4S)-7-bromo-2-cyclobutyl-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CC(C2CCC2)Oc2cc(Br)ccc21
InChIInChI=1S/C13H16BrNO/c14-9-4-5-10-11(15)7-12(8-2-1-3-8)16-13(10)6-9/h4-6,8,11-12H,1-3,7,15H2/t11-,12?/m0/s1
InChIKeyWEZLLNBDIAMUMO-PXYINDEMSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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
6-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine
CID 114710103
(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
CID 104947533
6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709987
7-bromo-2-cyclobutyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114711926
(4R)-7-fluoro-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947810
(4R)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104947805
(4R)-7-bromo-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945558
7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709292
7-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708777
(4S)-7-bromo-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 104945654

Frequently Asked Questions

What is the IUPAC name of (4S)-7-bromo-2-cyclobutyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-7-bromo-2-cyclobutyl-3,4-dihydro-2H-chromen-4-amine (CID 104945810) is (4S)-7-bromo-2-cyclobutyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-7-bromo-2-cyclobutyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-7-bromo-2-cyclobutyl-3,4-dihydro-2H-chromen-4-amine is N[C@H]1CC(C2CCC2)Oc2cc(Br)ccc21.
What is the InChIKey of (4S)-7-bromo-2-cyclobutyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is WEZLLNBDIAMUMO-PXYINDEMSA-N. The full InChI is InChI=1S/C13H16BrNO/c14-9-4-5-10-11(15)7-12(8-2-1-3-8)16-13(10)6-9/h4-6,8,11-12H,1-3,7,15H2/t11-,12?/m0/s1.
What are the key properties of (4S)-7-bromo-2-cyclobutyl-3,4-dihydro-2H-chromen-4-amine?
(4S)-7-bromo-2-cyclobutyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 282.18 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-bromo-2-cyclobutyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104945810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).