(4S)-7-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C17H24BrNO — CID 104945678

IUPAC(4S)-7-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCCC1CCC2(CC1)C[C@H](N)c1ccc(Br)cc1O2
InChIInChI=1S/C17H24BrNO/c1-2-3-12-6-8-17(9-7-12)11-15(19)14-5-4-13(18)10-16(14)20-17/h4-5,10,12,15H,2-3,6-9,11,19H2,1H3/t12?,15-,17?/m0/s1
InChIKeyXBSZDZOJLCFNSY-VXKCQOAXSA-N
MW338.29 g/mol
LogP4.96
Rot. Bonds2

About (4S)-7-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

(4S)-7-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 104945678) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is (4S)-7-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name(4S)-7-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID104945678
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name(4S)-7-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCCC1CCC2(CC1)C[C@H](N)c1ccc(Br)cc1O2
InChIInChI=1S/C17H24BrNO/c1-2-3-12-6-8-17(9-7-12)11-15(19)14-5-4-13(18)10-16(14)20-17/h4-5,10,12,15H,2-3,6-9,11,19H2,1H3/t12?,15-,17?/m0/s1
InChIKeyXBSZDZOJLCFNSY-VXKCQOAXSA-N
XLogP4.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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)-7-bromo-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945705
(4R)-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104946149
(4R)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945573
(4S)-7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945623
(4S)-6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947180
7-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114709132
7-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114709337
(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
6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715550
CID 114821592
CID 114821592
(4R)-6-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104946535

Frequently Asked Questions

What is the IUPAC name of (4S)-7-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of (4S)-7-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 104945678) is (4S)-7-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for (4S)-7-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for (4S)-7-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CCCC1CCC2(CC1)C[C@H](N)c1ccc(Br)cc1O2.
What is the InChIKey of (4S)-7-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is XBSZDZOJLCFNSY-VXKCQOAXSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-2-3-12-6-8-17(9-7-12)11-15(19)14-5-4-13(18)10-16(14)20-17/h4-5,10,12,15H,2-3,6-9,11,19H2,1H3/t12?,15-,17?/m0/s1.
What are the key properties of (4S)-7-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
(4S)-7-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 338.29 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 104945678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).