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

C17H24BrNO — CID 114713327

IUPAC6-bromo-3'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCC1CCCC2(C1)CC(NC)c1cc(Br)ccc1O2
InChIInChI=1S/C17H24BrNO/c1-3-12-5-4-8-17(10-12)11-15(19-2)14-9-13(18)6-7-16(14)20-17/h6-7,9,12,15,19H,3-5,8,10-11H2,1-2H3
InChIKeyRNGLVMKNURSOLL-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.83
Rot. Bonds2

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

6-bromo-3'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 114713327) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 6-bromo-3'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name6-bromo-3'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID114713327
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name6-bromo-3'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCC1CCCC2(C1)CC(NC)c1cc(Br)ccc1O2
InChIInChI=1S/C17H24BrNO/c1-3-12-5-4-8-17(10-12)11-15(19-2)14-9-13(18)6-7-16(14)20-17/h6-7,9,12,15,19H,3-5,8,10-11H2,1-2H3
InChIKeyRNGLVMKNURSOLL-UHFFFAOYSA-N
XLogP4.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-4'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114713186
6-bromo-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713143
6-bromo-N-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713221
(4R)-6-bromo-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 104951385
6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 114715617
6-bromo-3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825150
3'-ethyl-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114713668
6-bromo-N-ethylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
CID 114713382
(4R)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104951482
(4S)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104951256
6-bromo-3'-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114713502
(4S)-6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947180

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of 6-bromo-3'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 114713327) is 6-bromo-3'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for 6-bromo-3'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for 6-bromo-3'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CCC1CCCC2(C1)CC(NC)c1cc(Br)ccc1O2.
What is the InChIKey of 6-bromo-3'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is RNGLVMKNURSOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-3-12-5-4-8-17(10-12)11-15(19-2)14-9-13(18)6-7-16(14)20-17/h6-7,9,12,15,19H,3-5,8,10-11H2,1-2H3.
What are the key properties of 6-bromo-3'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
6-bromo-3'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 338.29 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 114713327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).