3-(7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol

C12H17NO2 — CID 84620908

IUPAC3-(7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol
SMILESCc1ccc2c(c1)OCC(CCCO)N2
InChIInChI=1S/C12H17NO2/c1-9-4-5-11-12(7-9)15-8-10(13-11)3-2-6-14/h4-5,7,10,13-14H,2-3,6,8H2,1H3
InChIKeyGZQZLLMKWZVCEE-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.94
Rot. Bonds3

About 3-(7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol

3-(7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol (PubChem CID 84620908) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol
PubChem CID84620908
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol
SMILESCc1ccc2c(c1)OCC(CCCO)N2
InChIInChI=1S/C12H17NO2/c1-9-4-5-11-12(7-9)15-8-10(13-11)3-2-6-14/h4-5,7,10,13-14H,2-3,6,8H2,1H3
InChIKeyGZQZLLMKWZVCEE-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-amino-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol
CID 84621114
ethyl 2-[(3S)-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate
CID 92715845
3-(3,4-dihydro-2H-benzo[h][1,4]benzoxazin-3-yl)propan-1-ol
CID 84630884
(7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol
CID 68554157
3-(2-aminoethyl)-3,4-dihydro-2H-1,4-benzoxazin-7-amine
CID 84619167
2-(6-methyl-2,3-dihydro-1-benzofuran-3-yl)ethanol
CID 90443762
3-propyl-3,4-dihydro-2H-1,4-benzoxazine
CID 20571251
2-[(2R)-7-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl]ethanol
CID 89163021
3-(2-cyanoethyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid
CID 84626822
ethyl 2-(7-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetate
CID 118599776
(7-chloro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
CID 84619592
ethyl 2-(7-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)acetate;hydrochloride
CID 170917114

Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol?
The IUPAC name of 3-(7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol (CID 84620908) is 3-(7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol.
What is the SMILES notation for 3-(7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol?
The canonical SMILES for 3-(7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol is Cc1ccc2c(c1)OCC(CCCO)N2.
What is the InChIKey of 3-(7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol?
The InChIKey is GZQZLLMKWZVCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-4-5-11-12(7-9)15-8-10(13-11)3-2-6-14/h4-5,7,10,13-14H,2-3,6,8H2,1H3.
What are the key properties of 3-(7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol?
3-(7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol has a molecular weight of 207.27 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)propan-1-ol is sourced from PubChem (CID 84620908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).