1-(3,4-dihydro-2H-1,4-benzoxazin-6-yloxy)-3-(propan-2-ylamino)propan-2-ol

C14H22N2O3 — CID 10784455

IUPAC1-(3,4-dihydro-2H-1,4-benzoxazin-6-yloxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1ccc2c(c1)NCCO2
InChIInChI=1S/C14H22N2O3/c1-10(2)16-8-11(17)9-19-12-3-4-14-13(7-12)15-5-6-18-14/h3-4,7,10-11,15-17H,5-6,8-9H2,1-2H3
InChIKeyBIHHXMKBJZZROT-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.23
Rot. Bonds6

About 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yloxy)-3-(propan-2-ylamino)propan-2-ol

1-(3,4-dihydro-2H-1,4-benzoxazin-6-yloxy)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 10784455) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yloxy)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-1,4-benzoxazin-6-yloxy)-3-(propan-2-ylamino)propan-2-ol
PubChem CID10784455
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-(3,4-dihydro-2H-1,4-benzoxazin-6-yloxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1ccc2c(c1)NCCO2
InChIInChI=1S/C14H22N2O3/c1-10(2)16-8-11(17)9-19-12-3-4-14-13(7-12)15-5-6-18-14/h3-4,7,10-11,15-17H,5-6,8-9H2,1-2H3
InChIKeyBIHHXMKBJZZROT-UHFFFAOYSA-N
XLogP1.23
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yloxy)-3-(propan-2-ylamino)propan-2-ol with MolForge

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Related Compounds

2-[2-hydroxy-5-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 101042913
1-(4-bromophenoxy)-3-(propan-2-ylamino)propan-2-ol chloride
CID 46863817
4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 6328341
(2R)-1-(4-morpholin-4-ylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 125487728
1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-ylamino]propan-2-ol
CID 82261379
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220
1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 44537247
1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 155667891
(2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 91927663
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-(3-bromo-4-fluorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 83231577
1-(4-chloro-3-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 43247705

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yloxy)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yloxy)-3-(propan-2-ylamino)propan-2-ol (CID 10784455) is 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yloxy)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yloxy)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yloxy)-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)COc1ccc2c(c1)NCCO2.
What is the InChIKey of 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yloxy)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is BIHHXMKBJZZROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)16-8-11(17)9-19-12-3-4-14-13(7-12)15-5-6-18-14/h3-4,7,10-11,15-17H,5-6,8-9H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yloxy)-3-(propan-2-ylamino)propan-2-ol?
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yloxy)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 266.34 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yloxy)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 10784455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).