6-bromo-N-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C18H26BrNO — CID 114713221

IUPAC6-bromo-N-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCCC1CCC2(CC1)CC(NC)c1cc(Br)ccc1O2
InChIInChI=1S/C18H26BrNO/c1-3-4-13-7-9-18(10-8-13)12-16(20-2)15-11-14(19)5-6-17(15)21-18/h5-6,11,13,16,20H,3-4,7-10,12H2,1-2H3
InChIKeyGCLHZJDDXNZTDS-UHFFFAOYSA-N
MW352.32 g/mol
LogP5.22
Rot. Bonds3

About 6-bromo-N-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

6-bromo-N-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 114713221) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is 6-bromo-N-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name6-bromo-N-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID114713221
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC Name6-bromo-N-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCCC1CCC2(CC1)CC(NC)c1cc(Br)ccc1O2
InChIInChI=1S/C18H26BrNO/c1-3-4-13-7-9-18(10-8-13)12-16(20-2)15-11-14(19)5-6-17(15)21-18/h5-6,11,13,16,20H,3-4,7-10,12H2,1-2H3
InChIKeyGCLHZJDDXNZTDS-UHFFFAOYSA-N
XLogP5.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.32
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-4'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114713186
6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715550
6-bromo-3'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713327
(4R)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104951482
(4S)-6-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104951256
6-bromo-N,3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713143
(4S)-7-bromo-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104945678
6-bromo-3'-methoxy-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825150
6-bromo-3'-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114713502
6-bromo-N-ethyl-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713357
(4S)-6-bromo-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947180
6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114713547

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of 6-bromo-N-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 114713221) is 6-bromo-N-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for 6-bromo-N-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for 6-bromo-N-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CCCC1CCC2(CC1)CC(NC)c1cc(Br)ccc1O2.
What is the InChIKey of 6-bromo-N-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is GCLHZJDDXNZTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-3-4-13-7-9-18(10-8-13)12-16(20-2)15-11-14(19)5-6-17(15)21-18/h5-6,11,13,16,20H,3-4,7-10,12H2,1-2H3.
What are the key properties of 6-bromo-N-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
6-bromo-N-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 352.32 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 114713221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).