1-(7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)-2-methylpropan-2-amine

C15H20ClNO2 — CID 117452697

IUPAC1-(7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cc2c(cc1Cl)OCC1(CC1)CO2
InChIInChI=1S/C15H20ClNO2/c1-14(2,17)7-10-5-12-13(6-11(10)16)19-9-15(3-4-15)8-18-12/h5-6H,3-4,7-9,17H2,1-2H3
InChIKeyVPJBPYNJFMPXJB-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.17
Rot. Bonds2

About 1-(7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)-2-methylpropan-2-amine

1-(7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)-2-methylpropan-2-amine (PubChem CID 117452697) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-(7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)-2-methylpropan-2-amine
PubChem CID117452697
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-(7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)Cc1cc2c(cc1Cl)OCC1(CC1)CO2
InChIInChI=1S/C15H20ClNO2/c1-14(2,17)7-10-5-12-13(6-11(10)16)19-9-15(3-4-15)8-18-12/h5-6H,3-4,7-9,17H2,1-2H3
InChIKeyVPJBPYNJFMPXJB-UHFFFAOYSA-N
XLogP3.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)-2-methylpropan-2-amine with MolForge

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Related Compounds

1-[(7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)methyl]cyclopropan-1-amine
CID 117448914
1-(7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)propan-2-ol
CID 117425419
7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-ol
CID 84690726
1-(6-chloro-1,3-benzodioxol-4-yl)-2-methylpropan-2-amine
CID 117327780
O-[(7-chloro-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-8-yl)methyl]hydroxylamine
CID 117397786
3-(8-methylspiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-7-yl)propan-1-amine
CID 117371036
1-(7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)-2-(methylamino)ethanone
CID 117452218
1-(5-chloro-6-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine
CID 117392742
1-(7-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropan-2-amine
CID 117392732
5-chloro-6-ethyl-1,3-benzodioxole;ethane
CID 176955593
1-(7-chloro-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-8-yl)-N-methoxymethanamine
CID 117432332
2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-2-amine
CID 117316768

Frequently Asked Questions

What is the IUPAC name of 1-(7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)-2-methylpropan-2-amine (CID 117452697) is 1-(7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)-2-methylpropan-2-amine is CC(C)(N)Cc1cc2c(cc1Cl)OCC1(CC1)CO2.
What is the InChIKey of 1-(7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)-2-methylpropan-2-amine?
The InChIKey is VPJBPYNJFMPXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-14(2,17)7-10-5-12-13(6-11(10)16)19-9-15(3-4-15)8-18-12/h5-6H,3-4,7-9,17H2,1-2H3.
What are the key properties of 1-(7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)-2-methylpropan-2-amine?
1-(7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)-2-methylpropan-2-amine has a molecular weight of 281.78 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chlorospiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-8-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 117452697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).