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

C15H20BrNO — CID 114711592

IUPAC7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCNC1CC2(CCCC2C)Oc2cc(Br)ccc21
InChIInChI=1S/C15H20BrNO/c1-10-4-3-7-15(10)9-13(17-2)12-6-5-11(16)8-14(12)18-15/h5-6,8,10,13,17H,3-4,7,9H2,1-2H3
InChIKeyBDQYWIAUXAMRQD-UHFFFAOYSA-N
MW310.24 g/mol
LogP4.05
Rot. Bonds1

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

7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (PubChem CID 114711592) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is 7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.

Molecular Properties

Compound Name7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
PubChem CID114711592
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCNC1CC2(CCCC2C)Oc2cc(Br)ccc21
InChIInChI=1S/C15H20BrNO/c1-10-4-3-7-15(10)9-13(17-2)12-6-5-11(16)8-14(12)18-15/h5-6,8,10,13,17H,3-4,7,9H2,1-2H3
InChIKeyBDQYWIAUXAMRQD-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114711614
7-bromo-N,2',4',4'-tetramethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 106664658
N,2',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114712548
7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
CID 79982958
6-bromo-N-ethyl-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713407
7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114711694
6-bromo-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713143
N-ethyl-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713826
(4R)-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 104951606
7-methoxy-N,2'-dimethylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114710927
N,3'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114240817
(4R)-2',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 104946615

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The IUPAC name of 7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (CID 114711592) is 7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.
What is the SMILES notation for 7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The canonical SMILES for 7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is CNC1CC2(CCCC2C)Oc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The InChIKey is BDQYWIAUXAMRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-10-4-3-7-15(10)9-13(17-2)12-6-5-11(16)8-14(12)18-15/h5-6,8,10,13,17H,3-4,7,9H2,1-2H3.
What are the key properties of 7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine has a molecular weight of 310.24 g/mol, XLogP of 4.05, 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'-cyclopentane]-4-amine is sourced from PubChem (CID 114711592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).