6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C16H22BrNO — CID 114710059

IUPAC6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCC1CCCCC12CC(N)c1cc(Br)ccc1O2
InChIInChI=1S/C16H22BrNO/c1-2-11-5-3-4-8-16(11)10-14(18)13-9-12(17)6-7-15(13)19-16/h6-7,9,11,14H,2-5,8,10,18H2,1H3
InChIKeyGMTADTLLRPEEFX-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.57
Rot. Bonds1

About 6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 114710059) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID114710059
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCC1CCCCC12CC(N)c1cc(Br)ccc1O2
InChIInChI=1S/C16H22BrNO/c1-2-11-5-3-4-8-16(11)10-14(18)13-9-12(17)6-7-15(13)19-16/h6-7,9,11,14H,2-5,8,10,18H2,1H3
InChIKeyGMTADTLLRPEEFX-UHFFFAOYSA-N
XLogP4.57
TPSA35.25 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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715465
6-bromo-2'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 106875135
6-bromo-2'-ethyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114713490
7-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714615
6-bromo-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114710145
(4S)-6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947180
(4S)-6-bromo-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947297
6-bromo-2,2-diethyl-3,4-dihydrochromen-4-amine
CID 114709977
7-bromo-2'-ethylspiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 114673264
6-bromo-N-ethyl-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713407
(4S)-6-bromo-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 106664675
(4S)-6-bromo-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-amine
CID 104947179

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of 6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 114710059) is 6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for 6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for 6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CCC1CCCCC12CC(N)c1cc(Br)ccc1O2.
What is the InChIKey of 6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is GMTADTLLRPEEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-2-11-5-3-4-8-16(11)10-14(18)13-9-12(17)6-7-15(13)19-16/h6-7,9,11,14H,2-5,8,10,18H2,1H3.
What are the key properties of 6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 324.26 g/mol, XLogP of 4.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 114710059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).