1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-methoxycyclobutyl)ethanamine

C15H20ClNO3 — CID 103556131

IUPAC1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-methoxycyclobutyl)ethanamine
SMILESCOC1(CC(N)c2cc3c(cc2Cl)OCCO3)CCC1
InChIInChI=1S/C15H20ClNO3/c1-18-15(3-2-4-15)9-12(17)10-7-13-14(8-11(10)16)20-6-5-19-13/h7-8,12H,2-6,9,17H2,1H3
InChIKeyKVQFSWYYFXAPIX-UHFFFAOYSA-N
MW297.78 g/mol
LogP3.07
Rot. Bonds4

About 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-methoxycyclobutyl)ethanamine

1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-methoxycyclobutyl)ethanamine (PubChem CID 103556131) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-methoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-methoxycyclobutyl)ethanamine
PubChem CID103556131
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-methoxycyclobutyl)ethanamine
SMILESCOC1(CC(N)c2cc3c(cc2Cl)OCCO3)CCC1
InChIInChI=1S/C15H20ClNO3/c1-18-15(3-2-4-15)9-12(17)10-7-13-14(8-11(10)16)20-6-5-19-13/h7-8,12H,2-6,9,17H2,1H3
InChIKeyKVQFSWYYFXAPIX-UHFFFAOYSA-N
XLogP3.07
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-methoxycyclobutyl)ethanamine with MolForge

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Related Compounds

1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-cyclopentylpropan-1-amine
CID 43152782
(1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
CID 82758605
1-(2,5-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556115
1-(3-chloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556124
1-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-cyclopropylethanamine
CID 55031996
3-amino-3-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanoic acid
CID 117431951
(1R)-1-(6-chloro-1,3-benzodioxol-5-yl)propan-1-amine;hydrochloride
CID 171215133
3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-amine
CID 117356386
(1R)-1-(6-chloro-1,3-benzodioxol-5-yl)-4-methylpentan-1-amine;hydrochloride
CID 171215167
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-phenylpropan-1-amine
CID 43330426
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopentylmethanamine
CID 43152791
1-(2,5-dichloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanol
CID 103557615

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-methoxycyclobutyl)ethanamine?
The IUPAC name of 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-methoxycyclobutyl)ethanamine (CID 103556131) is 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-methoxycyclobutyl)ethanamine.
What is the SMILES notation for 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-methoxycyclobutyl)ethanamine?
The canonical SMILES for 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-methoxycyclobutyl)ethanamine is COC1(CC(N)c2cc3c(cc2Cl)OCCO3)CCC1.
What is the InChIKey of 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-methoxycyclobutyl)ethanamine?
The InChIKey is KVQFSWYYFXAPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-18-15(3-2-4-15)9-12(17)10-7-13-14(8-11(10)16)20-6-5-19-13/h7-8,12H,2-6,9,17H2,1H3.
What are the key properties of 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-methoxycyclobutyl)ethanamine?
1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-methoxycyclobutyl)ethanamine has a molecular weight of 297.78 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(1-methoxycyclobutyl)ethanamine is sourced from PubChem (CID 103556131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).