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

C17H24BrNO — CID 114709132

IUPAC7-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
SMILESCC1(C)CCCC2(CC1)CC(N)c1ccc(Br)cc1O2
InChIInChI=1S/C17H24BrNO/c1-16(2)6-3-7-17(9-8-16)11-14(19)13-5-4-12(18)10-15(13)20-17/h4-5,10,14H,3,6-9,11,19H2,1-2H3
InChIKeyULJVAPSUWLJFRB-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.96
Rot. Bonds

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

7-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine (PubChem CID 114709132) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 7-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine.

Molecular Properties

Compound Name7-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
PubChem CID114709132
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name7-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
SMILESCC1(C)CCCC2(CC1)CC(N)c1ccc(Br)cc1O2
InChIInChI=1S/C17H24BrNO/c1-16(2)6-3-7-17(9-8-16)11-14(19)13-5-4-12(18)10-15(13)20-17/h4-5,10,14H,3,6-9,11,19H2,1-2H3
InChIKeyULJVAPSUWLJFRB-UHFFFAOYSA-N
XLogP4.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-6-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104947142
CID 114821592
CID 114821592
(4R)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945573
7-fluoro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
CID 114710216
(4S)-7-bromo-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945705
6-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114710156
(4R)-7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104945391
7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114709145
(4S)-7-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945678
(4S)-7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945623
7-bromo-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107430730
(4S)-7-bromo-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107430740

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
The IUPAC name of 7-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine (CID 114709132) is 7-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine.
What is the SMILES notation for 7-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
The canonical SMILES for 7-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine is CC1(C)CCCC2(CC1)CC(N)c1ccc(Br)cc1O2.
What is the InChIKey of 7-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
The InChIKey is ULJVAPSUWLJFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-16(2)6-3-7-17(9-8-16)11-14(19)13-5-4-12(18)10-15(13)20-17/h4-5,10,14H,3,6-9,11,19H2,1-2H3.
What are the key properties of 7-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
7-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine has a molecular weight of 338.29 g/mol, XLogP of 4.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine is sourced from PubChem (CID 114709132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).