2-amino-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentan-1-ol

C14H20ClNO3 — CID 62763630

IUPAC2-amino-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentan-1-ol
SMILESCC(C)CC(N)C(O)c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C14H20ClNO3/c1-8(2)5-11(16)13(17)9-6-10(15)14-12(7-9)18-3-4-19-14/h6-8,11,13,17H,3-5,16H2,1-2H3
InChIKeyUPXRTPHFKCRDDY-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.52
Rot. Bonds4

About 2-amino-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentan-1-ol

2-amino-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentan-1-ol (PubChem CID 62763630) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-amino-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentan-1-ol
PubChem CID62763630
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name2-amino-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentan-1-ol
SMILESCC(C)CC(N)C(O)c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C14H20ClNO3/c1-8(2)5-11(16)13(17)9-6-10(15)14-12(7-9)18-3-4-19-14/h6-8,11,13,17H,3-5,16H2,1-2H3
InChIKeyUPXRTPHFKCRDDY-UHFFFAOYSA-N
XLogP2.52
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutan-1-ol
CID 113291524
1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentan-1-ol
CID 65150991
1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-methylhexan-1-ol
CID 83158621
ethyl 3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-fluoro-3-hydroxypropanoate
CID 79366550
ethyl 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-hydroxymethyl]butanoate
CID 62395599
5-amino-4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pentan-2-ol
CID 81422475
ethyl 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetate
CID 62215193
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-methylpropylamino)acetamide
CID 60996487
ethyl (3S)-3-amino-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propanoate
CID 93294681
1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-en-1-ol
CID 65418218
2-amino-1-(3-chloro-4-fluorophenyl)-4-methylpentan-1-ol
CID 81152208
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(4-chlorophenyl)methanol
CID 63894855

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentan-1-ol?
The IUPAC name of 2-amino-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentan-1-ol (CID 62763630) is 2-amino-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentan-1-ol.
What is the SMILES notation for 2-amino-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentan-1-ol?
The canonical SMILES for 2-amino-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentan-1-ol is CC(C)CC(N)C(O)c1cc(Cl)c2c(c1)OCCO2.
What is the InChIKey of 2-amino-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentan-1-ol?
The InChIKey is UPXRTPHFKCRDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-8(2)5-11(16)13(17)9-6-10(15)14-12(7-9)18-3-4-19-14/h6-8,11,13,17H,3-5,16H2,1-2H3.
What are the key properties of 2-amino-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentan-1-ol?
2-amino-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentan-1-ol has a molecular weight of 285.77 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methylpentan-1-ol is sourced from PubChem (CID 62763630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).