(4S)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine

C16H22BrNO2 — CID 104945729

IUPAC(4S)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCC(C)C1CC2(CCO1)C[C@H](N)c1ccc(Br)cc1O2
InChIInChI=1S/C16H22BrNO2/c1-10(2)15-9-16(5-6-19-15)8-13(18)12-4-3-11(17)7-14(12)20-16/h3-4,7,10,13,15H,5-6,8-9,18H2,1-2H3/t13-,15?,16?/m0/s1
InChIKeyFSWFWTZIACSYNP-JEYLPNPQSA-N
MW340.26 g/mol
LogP3.81
Rot. Bonds1

About (4S)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine

(4S)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (PubChem CID 104945729) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is (4S)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.

Molecular Properties

Compound Name(4S)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
PubChem CID104945729
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name(4S)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCC(C)C1CC2(CCO1)C[C@H](N)c1ccc(Br)cc1O2
InChIInChI=1S/C16H22BrNO2/c1-10(2)15-9-16(5-6-19-15)8-13(18)12-4-3-11(17)7-14(12)20-16/h3-4,7,10,13,15H,5-6,8-9,18H2,1-2H3/t13-,15?,16?/m0/s1
InChIKeyFSWFWTZIACSYNP-JEYLPNPQSA-N
XLogP3.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 104949352
(4R)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945573
7-bromo-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107430730
(4S)-7-bromo-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107430740
7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114709145
7-bromo-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114709220
(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
CID 114821592
CID 114821592
(4S)-7-bromo-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945705
7-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114709132
(4S)-7-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945678

Frequently Asked Questions

What is the IUPAC name of (4S)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The IUPAC name of (4S)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (CID 104945729) is (4S)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.
What is the SMILES notation for (4S)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The canonical SMILES for (4S)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is CC(C)C1CC2(CCO1)C[C@H](N)c1ccc(Br)cc1O2.
What is the InChIKey of (4S)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The InChIKey is FSWFWTZIACSYNP-JEYLPNPQSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-10(2)15-9-16(5-6-19-15)8-13(18)12-4-3-11(17)7-14(12)20-16/h3-4,7,10,13,15H,5-6,8-9,18H2,1-2H3/t13-,15?,16?/m0/s1.
What are the key properties of (4S)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
(4S)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine has a molecular weight of 340.26 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is sourced from PubChem (CID 104945729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).