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

C17H24BrNO — CID 106664658

IUPAC7-bromo-N,2',4',4'-tetramethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCNC1CC2(CC(C)(C)CC2C)Oc2cc(Br)ccc21
InChIInChI=1S/C17H24BrNO/c1-11-8-16(2,3)10-17(11)9-14(19-4)13-6-5-12(18)7-15(13)20-17/h5-7,11,14,19H,8-10H2,1-4H3
InChIKeyMAMAVCUSALFMBG-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.69
Rot. Bonds1

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

7-bromo-N,2',4',4'-tetramethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (PubChem CID 106664658) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 7-bromo-N,2',4',4'-tetramethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.

Molecular Properties

Compound Name7-bromo-N,2',4',4'-tetramethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
PubChem CID106664658
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name7-bromo-N,2',4',4'-tetramethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCNC1CC2(CC(C)(C)CC2C)Oc2cc(Br)ccc21
InChIInChI=1S/C17H24BrNO/c1-11-8-16(2,3)10-17(11)9-14(19-4)13-6-5-12(18)7-15(13)20-17/h5-7,11,14,19H,8-10H2,1-4H3
InChIKeyMAMAVCUSALFMBG-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114711592
7-bromo-N,2,2-trimethyl-3,4-dihydrochromen-4-amine
CID 79982958
7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114711614
(4S)-6-bromo-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 106664675
7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114711694
(4R)-7-fluoro-2',4',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol
CID 106664630
3-bromo-N,7,7-trimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 62934035
7-fluoro-N,2-dimethyl-2-propan-2-yl-3,4-dihydrochromen-4-amine
CID 114713714
7-methoxy-N,2'-dimethylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114710927
7-bromo-N-ethyl-3',3'-dimethylspiro[3,4-dihydrochromene-2,5'-thiane]-4-amine
CID 114711787
7-bromo-N,1,1-trimethyl-3,4-dihydroisochromen-4-amine
CID 170901287
6-bromo-3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825150

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N,2',4',4'-tetramethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The IUPAC name of 7-bromo-N,2',4',4'-tetramethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (CID 106664658) is 7-bromo-N,2',4',4'-tetramethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.
What is the SMILES notation for 7-bromo-N,2',4',4'-tetramethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The canonical SMILES for 7-bromo-N,2',4',4'-tetramethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is CNC1CC2(CC(C)(C)CC2C)Oc2cc(Br)ccc21.
What is the InChIKey of 7-bromo-N,2',4',4'-tetramethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The InChIKey is MAMAVCUSALFMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-11-8-16(2,3)10-17(11)9-14(19-4)13-6-5-12(18)7-15(13)20-17/h5-7,11,14,19H,8-10H2,1-4H3.
What are the key properties of 7-bromo-N,2',4',4'-tetramethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
7-bromo-N,2',4',4'-tetramethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine has a molecular weight of 338.29 g/mol, XLogP of 4.69, 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',4',4'-tetramethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is sourced from PubChem (CID 106664658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).