(4S)-6-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine

C17H24BrNO — CID 104947142

IUPAC(4S)-6-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
SMILESCC1(C)CCCC2(CC1)C[C@H](N)c1cc(Br)ccc1O2
InChIInChI=1S/C17H24BrNO/c1-16(2)6-3-7-17(9-8-16)11-14(19)13-10-12(18)4-5-15(13)20-17/h4-5,10,14H,3,6-9,11,19H2,1-2H3/t14-,17?/m0/s1
InChIKeyHRVPFLOKRPWOMX-MBIQTGHCSA-N
MW338.29 g/mol
LogP4.96
Rot. Bonds

About (4S)-6-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine

(4S)-6-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine (PubChem CID 104947142) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is (4S)-6-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine.

Molecular Properties

Compound Name(4S)-6-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
PubChem CID104947142
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name(4S)-6-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
SMILESCC1(C)CCCC2(CC1)C[C@H](N)c1cc(Br)ccc1O2
InChIInChI=1S/C17H24BrNO/c1-16(2)6-3-7-17(9-8-16)11-14(19)13-10-12(18)4-5-15(13)20-17/h4-5,10,14H,3,6-9,11,19H2,1-2H3/t14-,17?/m0/s1
InChIKeyHRVPFLOKRPWOMX-MBIQTGHCSA-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

7-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114709132
6-bromo-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114710156
(4R)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107450839
(4S)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107450838
(4S)-6-bromo-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947164
(4S)-6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947180
(4S)-6-bromo-1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104947258
(4S)-6-bromo-3',5'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947157
6-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114710193
(4S)-6-bromo-2-cyclopropyl-2-methyl-3,4-dihydrochromen-4-amine
CID 104947179
(4S)-6-bromospiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
CID 104947217
6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114709074

Frequently Asked Questions

What is the IUPAC name of (4S)-6-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
The IUPAC name of (4S)-6-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine (CID 104947142) is (4S)-6-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine.
What is the SMILES notation for (4S)-6-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
The canonical SMILES for (4S)-6-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine is CC1(C)CCCC2(CC1)C[C@H](N)c1cc(Br)ccc1O2.
What is the InChIKey of (4S)-6-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
The InChIKey is HRVPFLOKRPWOMX-MBIQTGHCSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-16(2)6-3-7-17(9-8-16)11-14(19)13-10-12(18)4-5-15(13)20-17/h4-5,10,14H,3,6-9,11,19H2,1-2H3/t14-,17?/m0/s1.
What are the key properties of (4S)-6-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine?
(4S)-6-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 (4S)-6-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine is sourced from PubChem (CID 104947142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).