(4S)-7-bromo-2,2-dimethyl-3,4-dihydrochromen-4-amine

C11H14BrNO — CID 97050676

IUPAC(4S)-7-bromo-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCC1(C)C[C@H](N)c2ccc(Br)cc2O1
InChIInChI=1S/C11H14BrNO/c1-11(2)6-9(13)8-4-3-7(12)5-10(8)14-11/h3-5,9H,6,13H2,1-2H3/t9-/m0/s1
InChIKeyCALLMQCITOKEHG-VIFPVBQESA-N
MW256.14 g/mol
LogP3.01
Rot. Bonds

About (4S)-7-bromo-2,2-dimethyl-3,4-dihydrochromen-4-amine

(4S)-7-bromo-2,2-dimethyl-3,4-dihydrochromen-4-amine (PubChem CID 97050676) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is (4S)-7-bromo-2,2-dimethyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name(4S)-7-bromo-2,2-dimethyl-3,4-dihydrochromen-4-amine
PubChem CID97050676
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name(4S)-7-bromo-2,2-dimethyl-3,4-dihydrochromen-4-amine
SMILESCC1(C)C[C@H](N)c2ccc(Br)cc2O1
InChIInChI=1S/C11H14BrNO/c1-11(2)6-9(13)8-4-3-7(12)5-10(8)14-11/h3-5,9H,6,13H2,1-2H3/t9-/m0/s1
InChIKeyCALLMQCITOKEHG-VIFPVBQESA-N
XLogP3.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-amine
CID 42220633
2,2,7-trimethyl-3,4-dihydrochromen-4-amine;hydrochloride
CID 46736559
7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
CID 79982958
7-bromo-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114709220
7-bromo-2,2-dimethyl-3,4-dihydrochromene-4-carbonitrile
CID 162342582
(4S)-7-bromo-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine
CID 104945747
7-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114709132
7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114709145
(4R)-7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104945391
(4R)-7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104945533
(4R)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945573
(4R)-2,2,6,7-tetramethyl-3,4-dihydrochromen-4-amine
CID 42220652

Frequently Asked Questions

What is the IUPAC name of (4S)-7-bromo-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The IUPAC name of (4S)-7-bromo-2,2-dimethyl-3,4-dihydrochromen-4-amine (CID 97050676) is (4S)-7-bromo-2,2-dimethyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for (4S)-7-bromo-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for (4S)-7-bromo-2,2-dimethyl-3,4-dihydrochromen-4-amine is CC1(C)C[C@H](N)c2ccc(Br)cc2O1.
What is the InChIKey of (4S)-7-bromo-2,2-dimethyl-3,4-dihydrochromen-4-amine?
The InChIKey is CALLMQCITOKEHG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14BrNO/c1-11(2)6-9(13)8-4-3-7(12)5-10(8)14-11/h3-5,9H,6,13H2,1-2H3/t9-/m0/s1.
What are the key properties of (4S)-7-bromo-2,2-dimethyl-3,4-dihydrochromen-4-amine?
(4S)-7-bromo-2,2-dimethyl-3,4-dihydrochromen-4-amine has a molecular weight of 256.14 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-bromo-2,2-dimethyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 97050676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).