(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine

C10H14N2O2 — CID 59185838

IUPAC(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
SMILESCOc1cccc2c1NC(CN)CO2
InChIInChI=1S/C10H14N2O2/c1-13-8-3-2-4-9-10(8)12-7(5-11)6-14-9/h2-4,7,12H,5-6,11H2,1H3
InChIKeyUKHZAJQXEXIBDU-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.83
Rot. Bonds2

About (5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine

(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine (PubChem CID 59185838) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine.

Molecular Properties

Compound Name(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
PubChem CID59185838
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
SMILESCOc1cccc2c1NC(CN)CO2
InChIInChI=1S/C10H14N2O2/c1-13-8-3-2-4-9-10(8)12-7(5-11)6-14-9/h2-4,7,12H,5-6,11H2,1H3
InChIKeyUKHZAJQXEXIBDU-UHFFFAOYSA-N
XLogP0.83
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-[(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methyl]acetamide
CID 90710396
5-methoxy-3,4-dihydro-2H-1,4-benzoxazine-3-carboxylic acid
CID 117110701
[5-(2-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 12002315
4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119057116
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CID 84620741
6-methoxy-2,3,4,5-tetrahydro-1,5-benzoxazepine
CID 114765120
2,2-dimethylpropane;5-methoxy-3,4-dihydro-2H-1,4-benzoxazine
CID 159928014
3-(aminomethyl)-7-methoxy-1,3-dihydroindol-2-one
CID 82075718
3-cyclopropyl-5-methoxy-2,3-dihydro-1,4-benzodioxine
CID 154037863
8-methoxy-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoline
CID 83883204
(10bS)-10-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine
CID 70275125
[(3S)-5-methoxy-3,4-dihydro-2H-chromen-3-yl]methanol
CID 71713222

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine?
The IUPAC name of (5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine (CID 59185838) is (5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine.
What is the SMILES notation for (5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine?
The canonical SMILES for (5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine is COc1cccc2c1NC(CN)CO2.
What is the InChIKey of (5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine?
The InChIKey is UKHZAJQXEXIBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-13-8-3-2-4-9-10(8)12-7(5-11)6-14-9/h2-4,7,12H,5-6,11H2,1H3.
What are the key properties of (5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine?
(5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine has a molecular weight of 194.23 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine is sourced from PubChem (CID 59185838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).