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

C14H22N2O — CID 82339065

IUPAC(4-butyl-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine
SMILESCCCCN1CC(C)Oc2cc(CN)ccc21
InChIInChI=1S/C14H22N2O/c1-3-4-7-16-10-11(2)17-14-8-12(9-15)5-6-13(14)16/h5-6,8,11H,3-4,7,9-10,15H2,1-2H3
InChIKeyRGLWUDQXEIJJOZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.53
Rot. Bonds4

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

(4-butyl-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine (PubChem CID 82339065) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (4-butyl-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine.

Molecular Properties

Compound Name(4-butyl-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine
PubChem CID82339065
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(4-butyl-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine
SMILESCCCCN1CC(C)Oc2cc(CN)ccc21
InChIInChI=1S/C14H22N2O/c1-3-4-7-16-10-11(2)17-14-8-12(9-15)5-6-13(14)16/h5-6,8,11H,3-4,7,9-10,15H2,1-2H3
InChIKeyRGLWUDQXEIJJOZ-UHFFFAOYSA-N
XLogP2.53
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine
CID 82339059
(2,4-dimethyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanamine
CID 82096688
4-[7-(aminomethyl)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoic acid
CID 82339186
2-(6-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanamine
CID 82142287
propyl 2-[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]propanoate
CID 82339051
[2-methyl-4-(1-phenylethyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine
CID 82339068
(4-propyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine
CID 82339274
1-[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-phenylethanone
CID 82339338
[2-ethyl-4-(2-methylprop-2-enyl)-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine
CID 82339178
2-ethyl-4-pentyl-2,3-dihydro-1,4-benzoxazin-7-amine
CID 82025271
(2,4-dimethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine
CID 117046214
[7-(aminomethyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-(2-methylphenyl)methanone
CID 82339335

Frequently Asked Questions

What is the IUPAC name of (4-butyl-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine?
The IUPAC name of (4-butyl-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine (CID 82339065) is (4-butyl-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine.
What is the SMILES notation for (4-butyl-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine?
The canonical SMILES for (4-butyl-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine is CCCCN1CC(C)Oc2cc(CN)ccc21.
What is the InChIKey of (4-butyl-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine?
The InChIKey is RGLWUDQXEIJJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-4-7-16-10-11(2)17-14-8-12(9-15)5-6-13(14)16/h5-6,8,11H,3-4,7,9-10,15H2,1-2H3.
What are the key properties of (4-butyl-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine?
(4-butyl-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine has a molecular weight of 234.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butyl-2-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methanamine is sourced from PubChem (CID 82339065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).