6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine

C16H22BrNO2 — CID 114713547

IUPAC6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCCCNC1CC2(CCOCC2)Oc2ccc(Br)cc21
InChIInChI=1S/C16H22BrNO2/c1-2-7-18-14-11-16(5-8-19-9-6-16)20-15-4-3-12(17)10-13(14)15/h3-4,10,14,18H,2,5-9,11H2,1H3
InChIKeySLUFNCVASUISBA-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.82
Rot. Bonds3

About 6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine

6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (PubChem CID 114713547) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.

Molecular Properties

Compound Name6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
PubChem CID114713547
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCCCNC1CC2(CCOCC2)Oc2ccc(Br)cc21
InChIInChI=1S/C16H22BrNO2/c1-2-7-18-14-11-16(5-8-19-9-6-16)20-15-4-3-12(17)10-13(14)15/h3-4,10,14,18H,2,5-9,11H2,1H3
InChIKeySLUFNCVASUISBA-UHFFFAOYSA-N
XLogP3.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114713557
6-bromo-3'-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114713502
6-chloro-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114711474
6-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114713119
6-bromo-N,1'-diethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114713417
6-bromo-2'-ethyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114713490
6-bromo-N-ethyl-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713357
6-bromo-N-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713221
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
6-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713133
6-bromo-N-ethylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
CID 114713382
6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
CID 114713374

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The IUPAC name of 6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (CID 114713547) is 6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.
What is the SMILES notation for 6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The canonical SMILES for 6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is CCCNC1CC2(CCOCC2)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The InChIKey is SLUFNCVASUISBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-2-7-18-14-11-16(5-8-19-9-6-16)20-15-4-3-12(17)10-13(14)15/h3-4,10,14,18H,2,5-9,11H2,1H3.
What are the key properties of 6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine has a molecular weight of 340.26 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is sourced from PubChem (CID 114713547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).