1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-2-amine

C12H18N2O — CID 82340016

IUPAC1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-2-amine
SMILESCC(N)Cc1ccc2c(c1)N(C)CCO2
InChIInChI=1S/C12H18N2O/c1-9(13)7-10-3-4-12-11(8-10)14(2)5-6-15-12/h3-4,8-9H,5-7,13H2,1-2H3
InChIKeyPJRJWKGPDQHBCM-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.40
Rot. Bonds2

About 1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-2-amine

1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-2-amine (PubChem CID 82340016) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-2-amine
PubChem CID82340016
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-2-amine
SMILESCC(N)Cc1ccc2c(c1)N(C)CCO2
InChIInChI=1S/C12H18N2O/c1-9(13)7-10-3-4-12-11(8-10)14(2)5-6-15-12/h3-4,8-9H,5-7,13H2,1-2H3
InChIKeyPJRJWKGPDQHBCM-UHFFFAOYSA-N
XLogP1.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(2-aminopropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]propan-1-one
CID 82340696
(1R)-2-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)ethanol
CID 95941521
2-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenylpropanamide
CID 119889219
4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane
CID 90795245
2-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenylpropanamide;dihydrochloride
CID 119889218
4-methyl-6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzoxazine
CID 176694445
(1S)-3-amino-1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol
CID 95941519
ethane;6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 145415820
1-(2,2-dimethyl-4-propyl-3H-1,4-benzoxazin-6-yl)propan-2-amine
CID 82340334
methyl 5-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)pentanoate
CID 82533702
4-methyl-2,3-dihydro-1,4-benzoxazine;propane
CID 143401269
7-ethyl-4-methyl-2,3-dihydro-1,4-benzoxazine;formaldehyde
CID 178062426

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-2-amine?
The IUPAC name of 1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-2-amine (CID 82340016) is 1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-2-amine.
What is the SMILES notation for 1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-2-amine?
The canonical SMILES for 1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-2-amine is CC(N)Cc1ccc2c(c1)N(C)CCO2.
What is the InChIKey of 1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-2-amine?
The InChIKey is PJRJWKGPDQHBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(13)7-10-3-4-12-11(8-10)14(2)5-6-15-12/h3-4,8-9H,5-7,13H2,1-2H3.
What are the key properties of 1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-2-amine?
1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-2-amine has a molecular weight of 206.29 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-2-amine is sourced from PubChem (CID 82340016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).