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

C18H26BrNO — CID 104945705

IUPAC(4S)-7-bromo-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCC(C)(C)C1CCC2(CC1)C[C@H](N)c1ccc(Br)cc1O2
InChIInChI=1S/C18H26BrNO/c1-17(2,3)12-6-8-18(9-7-12)11-15(20)14-5-4-13(19)10-16(14)21-18/h4-5,10,12,15H,6-9,11,20H2,1-3H3/t12?,15-,18?/m0/s1
InChIKeyHDZAWXIMMJTEIP-KVIBHRHWSA-N
MW352.32 g/mol
LogP5.21
Rot. Bonds

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

(4S)-7-bromo-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 104945705) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is (4S)-7-bromo-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name(4S)-7-bromo-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID104945705
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC Name(4S)-7-bromo-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCC(C)(C)C1CCC2(CC1)C[C@H](N)c1ccc(Br)cc1O2
InChIInChI=1S/C18H26BrNO/c1-17(2,3)12-6-8-18(9-7-12)11-15(20)14-5-4-13(19)10-16(14)21-18/h4-5,10,12,15H,6-9,11,20H2,1-3H3/t12?,15-,18?/m0/s1
InChIKeyHDZAWXIMMJTEIP-KVIBHRHWSA-N
XLogP5.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.32
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-7-bromo-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine with MolForge

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Related Compounds

(4S)-7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945623
(4S)-7-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945678
(4R)-7-bromo-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945573
7-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114709132
7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114709145
(4R)-7-bromospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104945391
CID 114821592
CID 114821592
7-bromo-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114709220
(4R)-7-bromo-1'-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104945533
(4S)-7-bromo-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 97050676
(4S)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 104945729
7-bromo-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714791

Frequently Asked Questions

What is the IUPAC name of (4S)-7-bromo-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of (4S)-7-bromo-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 104945705) is (4S)-7-bromo-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for (4S)-7-bromo-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for (4S)-7-bromo-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CC(C)(C)C1CCC2(CC1)C[C@H](N)c1ccc(Br)cc1O2.
What is the InChIKey of (4S)-7-bromo-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is HDZAWXIMMJTEIP-KVIBHRHWSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-17(2,3)12-6-8-18(9-7-12)11-15(20)14-5-4-13(19)10-16(14)21-18/h4-5,10,12,15H,6-9,11,20H2,1-3H3/t12?,15-,18?/m0/s1.
What are the key properties of (4S)-7-bromo-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
(4S)-7-bromo-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 352.32 g/mol, XLogP of 5.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-bromo-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 104945705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).