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

C18H26BrNO — CID 114713186

IUPAC6-bromo-4'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
SMILESCCC1CCCC2(CC1)CC(NC)c1cc(Br)ccc1O2
InChIInChI=1S/C18H26BrNO/c1-3-13-5-4-9-18(10-8-13)12-16(20-2)15-11-14(19)6-7-17(15)21-18/h6-7,11,13,16,20H,3-5,8-10,12H2,1-2H3
InChIKeyORTCQZTXCDGEFP-UHFFFAOYSA-N
MW352.32 g/mol
LogP5.22
Rot. Bonds2

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

6-bromo-4'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine (PubChem CID 114713186) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is 6-bromo-4'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine.

Molecular Properties

Compound Name6-bromo-4'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
PubChem CID114713186
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC Name6-bromo-4'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
SMILESCCC1CCCC2(CC1)CC(NC)c1cc(Br)ccc1O2
InChIInChI=1S/C18H26BrNO/c1-3-13-5-4-9-18(10-8-13)12-16(20-2)15-11-14(19)6-7-17(15)21-18/h6-7,11,13,16,20H,3-5,8-10,12H2,1-2H3
InChIKeyORTCQZTXCDGEFP-UHFFFAOYSA-N
XLogP5.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.32
LogP ≤ 55.22
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
6-bromo-N-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713221
6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 114715617
6-bromo-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713143
(4S)-6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947180
(4S)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104951256
(4R)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104951482
(4R)-6-bromo-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 104951385
6-bromo-3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825150
6-bromo-N-ethyl-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713357
6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715550
6-bromo-N-ethylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
CID 114713382

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
The IUPAC name of 6-bromo-4'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine (CID 114713186) is 6-bromo-4'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine.
What is the SMILES notation for 6-bromo-4'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
The canonical SMILES for 6-bromo-4'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine is CCC1CCCC2(CC1)CC(NC)c1cc(Br)ccc1O2.
What is the InChIKey of 6-bromo-4'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
The InChIKey is ORTCQZTXCDGEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-3-13-5-4-9-18(10-8-13)12-16(20-2)15-11-14(19)6-7-17(15)21-18/h6-7,11,13,16,20H,3-5,8-10,12H2,1-2H3.
What are the key properties of 6-bromo-4'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
6-bromo-4'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine has a molecular weight of 352.32 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine is sourced from PubChem (CID 114713186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).