1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-ylamino]propan-2-ol

C14H22N2O2 — CID 82261379

IUPAC1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-ylamino]propan-2-ol
SMILESCC(O)CNC(C)Cc1ccc2c(c1)NCCO2
InChIInChI=1S/C14H22N2O2/c1-10(16-9-11(2)17)7-12-3-4-14-13(8-12)15-5-6-18-14/h3-4,8,10-11,15-17H,5-7,9H2,1-2H3
InChIKeyAKWGLNYIWDQGRN-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.39
Rot. Bonds5

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

1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-ylamino]propan-2-ol (PubChem CID 82261379) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-ylamino]propan-2-ol.

Molecular Properties

Compound Name1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-ylamino]propan-2-ol
PubChem CID82261379
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-ylamino]propan-2-ol
SMILESCC(O)CNC(C)Cc1ccc2c(c1)NCCO2
InChIInChI=1S/C14H22N2O2/c1-10(16-9-11(2)17)7-12-3-4-14-13(8-12)15-5-6-18-14/h3-4,8,10-11,15-17H,5-7,9H2,1-2H3
InChIKeyAKWGLNYIWDQGRN-UHFFFAOYSA-N
XLogP1.39
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]-N',N'-diethylpropane-1,3-diamine
CID 82261405
3,4-dihydro-2H-1,4-benzoxazin-6-ylmethanol
CID 12000271
2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]acetic acid
CID 82261323
2-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethylamino]propanoic acid
CID 82261439
4-[2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]ethyl]phenol
CID 82261317
2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]-2-methylpropan-1-ol
CID 82261365
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(2-methoxyethyl)butan-2-amine
CID 82261347
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 10784455
2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 82261464
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol
CID 43499278
2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 82261463
1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]piperidine-3-carboxylic acid
CID 82260777

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-ylamino]propan-2-ol?
The IUPAC name of 1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-ylamino]propan-2-ol (CID 82261379) is 1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-ylamino]propan-2-ol.
What is the SMILES notation for 1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-ylamino]propan-2-ol?
The canonical SMILES for 1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-ylamino]propan-2-ol is CC(O)CNC(C)Cc1ccc2c(c1)NCCO2.
What is the InChIKey of 1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-ylamino]propan-2-ol?
The InChIKey is AKWGLNYIWDQGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(16-9-11(2)17)7-12-3-4-14-13(8-12)15-5-6-18-14/h3-4,8,10-11,15-17H,5-7,9H2,1-2H3.
What are the key properties of 1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-ylamino]propan-2-ol?
1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-ylamino]propan-2-ol has a molecular weight of 250.34 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-ylamino]propan-2-ol is sourced from PubChem (CID 82261379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).