6-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine

C17H25BrN2O — CID 114710193

IUPAC6-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
SMILESCCCN1CCCC2(CC1)CC(N)c1cc(Br)ccc1O2
InChIInChI=1S/C17H25BrN2O/c1-2-8-20-9-3-6-17(7-10-20)12-15(19)14-11-13(18)4-5-16(14)21-17/h4-5,11,15H,2-3,6-10,12,19H2,1H3
InChIKeyYOFTVRXODDBWQP-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.87
Rot. Bonds2

About 6-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine

6-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine (PubChem CID 114710193) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 6-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine.

Molecular Properties

Compound Name6-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
PubChem CID114710193
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name6-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
SMILESCCCN1CCCC2(CC1)CC(N)c1cc(Br)ccc1O2
InChIInChI=1S/C17H25BrN2O/c1-2-8-20-9-3-6-17(7-10-20)12-15(19)14-11-13(18)4-5-16(14)21-17/h4-5,11,15H,2-3,6-10,12,19H2,1H3
InChIKeyYOFTVRXODDBWQP-UHFFFAOYSA-N
XLogP3.87
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine?
The IUPAC name of 6-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine (CID 114710193) is 6-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine.
What is the SMILES notation for 6-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine?
The canonical SMILES for 6-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine is CCCN1CCCC2(CC1)CC(N)c1cc(Br)ccc1O2.
What is the InChIKey of 6-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine?
The InChIKey is YOFTVRXODDBWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-2-8-20-9-3-6-17(7-10-20)12-15(19)14-11-13(18)4-5-16(14)21-17/h4-5,11,15H,2-3,6-10,12,19H2,1H3.
What are the key properties of 6-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine?
6-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine has a molecular weight of 353.30 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine is sourced from PubChem (CID 114710193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).