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

C16H22BrNO — CID 114713143

IUPAC6-bromo-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCNC1CC2(CCCC(C)C2)Oc2ccc(Br)cc21
InChIInChI=1S/C16H22BrNO/c1-11-4-3-7-16(9-11)10-14(18-2)13-8-12(17)5-6-15(13)19-16/h5-6,8,11,14,18H,3-4,7,9-10H2,1-2H3
InChIKeyZTEAUVLGNHPQDQ-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.44
Rot. Bonds1

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

6-bromo-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 114713143) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 6-bromo-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name6-bromo-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID114713143
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name6-bromo-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCNC1CC2(CCCC(C)C2)Oc2ccc(Br)cc21
InChIInChI=1S/C16H22BrNO/c1-11-4-3-7-16(9-11)10-14(18-2)13-8-12(17)5-6-15(13)19-16/h5-6,8,11,14,18H,3-4,7,9-10H2,1-2H3
InChIKeyZTEAUVLGNHPQDQ-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

6-bromo-3'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713327
(4R)-6-bromo-3'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951521
6-bromo-4'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114713186
6-bromo-3'-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114713502
6-bromo-N-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713221
6-bromo-3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825150
6-fluoro-N-methyl-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107450817
7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114711694
6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 107450779
(4R)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107450839
(4S)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107450838
6-fluoro-N,3',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114710448

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of 6-bromo-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 114713143) is 6-bromo-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for 6-bromo-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for 6-bromo-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CNC1CC2(CCCC(C)C2)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is ZTEAUVLGNHPQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-11-4-3-7-16(9-11)10-14(18-2)13-8-12(17)5-6-15(13)19-16/h5-6,8,11,14,18H,3-4,7,9-10H2,1-2H3.
What are the key properties of 6-bromo-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
6-bromo-N,3'-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 6-bromo-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 114713143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).