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

C17H24BrNO2 — CID 114713557

IUPAC6-bromo-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCCCNC1CC2(CCOC(C)C2)Oc2ccc(Br)cc21
InChIInChI=1S/C17H24BrNO2/c1-3-7-19-15-11-17(6-8-20-12(2)10-17)21-16-5-4-13(18)9-14(15)16/h4-5,9,12,15,19H,3,6-8,10-11H2,1-2H3
InChIKeySYSCYASSHQUDHO-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.21
Rot. Bonds3

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

6-bromo-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (PubChem CID 114713557) has the molecular formula C17H24BrNO2 and a molecular weight of 354.29 g/mol. Its IUPAC name is 6-bromo-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.

Molecular Properties

Compound Name6-bromo-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
PubChem CID114713557
Molecular FormulaC17H24BrNO2
Molecular Weight354.29 g/mol
Exact Mass353.10
IUPAC Name6-bromo-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCCCNC1CC2(CCOC(C)C2)Oc2ccc(Br)cc21
InChIInChI=1S/C17H24BrNO2/c1-3-7-19-15-11-17(6-8-20-12(2)10-17)21-16-5-4-13(18)9-14(15)16/h4-5,9,12,15,19H,3,6-8,10-11H2,1-2H3
InChIKeySYSCYASSHQUDHO-UHFFFAOYSA-N
XLogP4.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114713547
6-bromo-3'-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114713502
N-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114712784
7-bromo-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114711694
6-chloro-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114711474
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-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114713119
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
N-ethyl-7-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114711043
6-bromo-N-ethyl-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713357
3'-ethyl-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114712836

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The IUPAC name of 6-bromo-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (CID 114713557) is 6-bromo-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.
What is the SMILES notation for 6-bromo-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The canonical SMILES for 6-bromo-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is CCCNC1CC2(CCOC(C)C2)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The InChIKey is SYSCYASSHQUDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO2/c1-3-7-19-15-11-17(6-8-20-12(2)10-17)21-16-5-4-13(18)9-14(15)16/h4-5,9,12,15,19H,3,6-8,10-11H2,1-2H3.
What are the key properties of 6-bromo-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
6-bromo-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine has a molecular weight of 354.29 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is sourced from PubChem (CID 114713557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).