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

C18H26BrNO — CID 107430740

IUPAC(4S)-7-bromo-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCC(C)CC1CCCC2(C1)C[C@H](N)c1ccc(Br)cc1O2
InChIInChI=1S/C18H26BrNO/c1-12(2)8-13-4-3-7-18(10-13)11-16(20)15-6-5-14(19)9-17(15)21-18/h5-6,9,12-13,16H,3-4,7-8,10-11,20H2,1-2H3/t13?,16-,18?/m0/s1
InChIKeyNMTCZFCWCVVOAQ-MNQCNDSGSA-N
MW352.32 g/mol
LogP5.21
Rot. Bonds2

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

(4S)-7-bromo-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 107430740) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is (4S)-7-bromo-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name(4S)-7-bromo-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID107430740
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC Name(4S)-7-bromo-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCC(C)CC1CCCC2(C1)C[C@H](N)c1ccc(Br)cc1O2
InChIInChI=1S/C18H26BrNO/c1-12(2)8-13-4-3-7-18(10-13)11-16(20)15-6-5-14(19)9-17(15)21-18/h5-6,9,12-13,16H,3-4,7-8,10-11,20H2,1-2H3/t13?,16-,18?/m0/s1
InChIKeyNMTCZFCWCVVOAQ-MNQCNDSGSA-N
XLogP5.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine with MolForge

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Related Compounds

7-bromo-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107430730
(4S)-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107430742
(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
(4S)-7-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945678
(4R)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107450839
(4S)-7-bromo-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 104945729
(4S)-6-bromo-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107450838
(4R)-3'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104948009
CID 114821592
CID 114821592
(4S)-7-bromo-4'-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945705
7-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114709337

Frequently Asked Questions

What is the IUPAC name of (4S)-7-bromo-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of (4S)-7-bromo-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 107430740) is (4S)-7-bromo-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for (4S)-7-bromo-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for (4S)-7-bromo-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CC(C)CC1CCCC2(C1)C[C@H](N)c1ccc(Br)cc1O2.
What is the InChIKey of (4S)-7-bromo-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is NMTCZFCWCVVOAQ-MNQCNDSGSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-12(2)8-13-4-3-7-18(10-13)11-16(20)15-6-5-14(19)9-17(15)21-18/h5-6,9,12-13,16H,3-4,7-8,10-11,20H2,1-2H3/t13?,16-,18?/m0/s1.
What are the key properties of (4S)-7-bromo-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
(4S)-7-bromo-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 352.32 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-bromo-3'-(2-methylpropyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 107430740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).