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

C15H20BrNO — CID 104945742

IUPAC(4S)-7-bromo-2-cyclohexyl-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CC(C2CCCCC2)Oc2cc(Br)ccc21
InChIInChI=1S/C15H20BrNO/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h6-8,10,13-14H,1-5,9,17H2/t13-,14?/m0/s1
InChIKeyAWMYKLPHLVWROH-LSLKUGRBSA-N
MW310.23 g/mol
LogP4.18
Rot. Bonds1

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

(4S)-7-bromo-2-cyclohexyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104945742) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is (4S)-7-bromo-2-cyclohexyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-7-bromo-2-cyclohexyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID104945742
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name(4S)-7-bromo-2-cyclohexyl-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CC(C2CCCCC2)Oc2cc(Br)ccc21
InChIInChI=1S/C15H20BrNO/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h6-8,10,13-14H,1-5,9,17H2/t13-,14?/m0/s1
InChIKeyAWMYKLPHLVWROH-LSLKUGRBSA-N
XLogP4.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.18
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-cyclobutyl-3,4-dihydro-2H-chromen-4-amine
CID 104945810
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
(4R)-2-cyclohexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104947068
(4R)-7-bromo-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945558
(4R)-7-fluoro-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104947805
7-bromo-2-cyclobutyl-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114711926
7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709292
(4R)-7-fluoro-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947810
7-methoxy-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708777

Frequently Asked Questions

What is the IUPAC name of (4S)-7-bromo-2-cyclohexyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-7-bromo-2-cyclohexyl-3,4-dihydro-2H-chromen-4-amine (CID 104945742) is (4S)-7-bromo-2-cyclohexyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-7-bromo-2-cyclohexyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-7-bromo-2-cyclohexyl-3,4-dihydro-2H-chromen-4-amine is N[C@H]1CC(C2CCCCC2)Oc2cc(Br)ccc21.
What is the InChIKey of (4S)-7-bromo-2-cyclohexyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is AWMYKLPHLVWROH-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h6-8,10,13-14H,1-5,9,17H2/t13-,14?/m0/s1.
What are the key properties of (4S)-7-bromo-2-cyclohexyl-3,4-dihydro-2H-chromen-4-amine?
(4S)-7-bromo-2-cyclohexyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 310.23 g/mol, XLogP of 4.18, 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-cyclohexyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104945742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).