(4-propyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine

C12H18N2O — CID 82339274

IUPAC(4-propyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine
SMILESCCCN1CCOc2cc(CN)ccc21
InChIInChI=1S/C12H18N2O/c1-2-5-14-6-7-15-12-8-10(9-13)3-4-11(12)14/h3-4,8H,2,5-7,9,13H2,1H3
InChIKeyLFISUILVRFZSJV-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.75
Rot. Bonds3

About (4-propyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine

(4-propyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine (PubChem CID 82339274) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (4-propyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine.

Molecular Properties

Compound Name(4-propyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine
PubChem CID82339274
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(4-propyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine
SMILESCCCN1CCOc2cc(CN)ccc21
InChIInChI=1S/C12H18N2O/c1-2-5-14-6-7-15-12-8-10(9-13)3-4-11(12)14/h3-4,8H,2,5-7,9,13H2,1H3
InChIKeyLFISUILVRFZSJV-UHFFFAOYSA-N
XLogP1.75
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hexyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanol
CID 82058002
1-[7-(aminomethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-2-ethylbutan-1-one
CID 82339400
6-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-7-amine
CID 134530161
[4-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine
CID 166283636
(4-propyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methanamine
CID 121199772
2-[7-(aminomethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-(2-methoxyethyl)acetamide
CID 82339228
propyl 2-[7-(aminomethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate
CID 82339248
3-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
CID 83397563
2-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanamine
CID 82340042
[4-(2-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanol
CID 82058003
7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;formaldehyde
CID 178062426
(4-butyl-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine
CID 82339065

Frequently Asked Questions

What is the IUPAC name of (4-propyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine?
The IUPAC name of (4-propyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine (CID 82339274) is (4-propyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine.
What is the SMILES notation for (4-propyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine?
The canonical SMILES for (4-propyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine is CCCN1CCOc2cc(CN)ccc21.
What is the InChIKey of (4-propyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine?
The InChIKey is LFISUILVRFZSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-5-14-6-7-15-12-8-10(9-13)3-4-11(12)14/h3-4,8H,2,5-7,9,13H2,1H3.
What are the key properties of (4-propyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine?
(4-propyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine has a molecular weight of 206.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine is sourced from PubChem (CID 82339274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).