7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C16H22BrNO — CID 114711614

IUPAC7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCNC1CC2(CCCCC2C)Oc2cc(Br)ccc21
InChIInChI=1S/C16H22BrNO/c1-11-5-3-4-8-16(11)10-14(18-2)13-7-6-12(17)9-15(13)19-16/h6-7,9,11,14,18H,3-5,8,10H2,1-2H3
InChIKeyRIRHWIJLYOOVME-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.44
Rot. Bonds1

About 7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 114711614) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID114711614
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCNC1CC2(CCCCC2C)Oc2cc(Br)ccc21
InChIInChI=1S/C16H22BrNO/c1-11-5-3-4-8-16(11)10-14(18-2)13-7-6-12(17)9-15(13)19-16/h6-7,9,11,14,18H,3-5,8,10H2,1-2H3
InChIKeyRIRHWIJLYOOVME-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114711592
7-bromo-N,2',4',4'-tetramethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 106664658
6-bromo-N-ethyl-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713407
7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
CID 79982958
N,2',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114712548
N-ethyl-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713826
7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114711694
7-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714615
6-bromo-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713143
7-methoxy-N,2'-dimethylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114710927
(4S)-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104948820
7-bromo-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-amine
CID 114711827

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of 7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 114711614) is 7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for 7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for 7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CNC1CC2(CCCCC2C)Oc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is RIRHWIJLYOOVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-11-5-3-4-8-16(11)10-14(18-2)13-7-6-12(17)9-15(13)19-16/h6-7,9,11,14,18H,3-5,8,10H2,1-2H3.
What are the key properties of 7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 324.26 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 114711614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).