(4S)-6-bromo-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C15H20BrNO2 — CID 104947164

IUPAC(4S)-6-bromo-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCOC1CCC2(CC1)C[C@H](N)c1cc(Br)ccc1O2
InChIInChI=1S/C15H20BrNO2/c1-18-11-4-6-15(7-5-11)9-13(17)12-8-10(16)2-3-14(12)19-15/h2-3,8,11,13H,4-7,9,17H2,1H3/t11?,13-,15?/m0/s1
InChIKeyQKTCMHPCDAUDAB-QRJNDHJOSA-N
MW326.23 g/mol
LogP3.56
Rot. Bonds1

About (4S)-6-bromo-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

(4S)-6-bromo-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 104947164) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is (4S)-6-bromo-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name(4S)-6-bromo-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID104947164
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name(4S)-6-bromo-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCOC1CCC2(CC1)C[C@H](N)c1cc(Br)ccc1O2
InChIInChI=1S/C15H20BrNO2/c1-18-11-4-6-15(7-5-11)9-13(17)12-8-10(16)2-3-14(12)19-15/h2-3,8,11,13H,4-7,9,17H2,1H3/t11?,13-,15?/m0/s1
InChIKeyQKTCMHPCDAUDAB-QRJNDHJOSA-N
XLogP3.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947180
6-bromo-N-ethyl-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713357
(4S)-6-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104947142
6-bromo-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 106875135
6-bromo-3'-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825088
(4S)-6-bromo-1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104947258
(4S)-6-bromo-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947157
(4S)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107450838
(4R)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107450839
(4S)-6-bromospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
CID 104947217
6-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114710156
6-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-amine
CID 114710140

Frequently Asked Questions

What is the IUPAC name of (4S)-6-bromo-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of (4S)-6-bromo-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 104947164) is (4S)-6-bromo-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for (4S)-6-bromo-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for (4S)-6-bromo-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is COC1CCC2(CC1)C[C@H](N)c1cc(Br)ccc1O2.
What is the InChIKey of (4S)-6-bromo-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is QKTCMHPCDAUDAB-QRJNDHJOSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-18-11-4-6-15(7-5-11)9-13(17)12-8-10(16)2-3-14(12)19-15/h2-3,8,11,13H,4-7,9,17H2,1H3/t11?,13-,15?/m0/s1.
What are the key properties of (4S)-6-bromo-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
(4S)-6-bromo-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 326.23 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-bromo-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 104947164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).