1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(2-methoxyethyl)butan-2-amine

C15H24N2O2 — CID 82261347

IUPAC1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(2-methoxyethyl)butan-2-amine
SMILESCCC(Cc1ccc2c(c1)NCCO2)NCCOC
InChIInChI=1S/C15H24N2O2/c1-3-13(16-6-8-18-2)10-12-4-5-15-14(11-12)17-7-9-19-15/h4-5,11,13,16-17H,3,6-10H2,1-2H3
InChIKeyUCMUEDJMTOCEEY-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.05
Rot. Bonds7

About 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(2-methoxyethyl)butan-2-amine

1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(2-methoxyethyl)butan-2-amine (PubChem CID 82261347) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(2-methoxyethyl)butan-2-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(2-methoxyethyl)butan-2-amine
PubChem CID82261347
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(2-methoxyethyl)butan-2-amine
SMILESCCC(Cc1ccc2c(c1)NCCO2)NCCOC
InChIInChI=1S/C15H24N2O2/c1-3-13(16-6-8-18-2)10-12-4-5-15-14(11-12)17-7-9-19-15/h4-5,11,13,16-17H,3,6-10H2,1-2H3
InChIKeyUCMUEDJMTOCEEY-UHFFFAOYSA-N
XLogP2.05
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(2-methoxyethyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]ethyl]phenol
CID 82261317
2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]acetic acid
CID 82261323
2-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)butan-2-ylamino]-2-methylpropan-1-ol
CID 82261365
N-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]-N',N'-diethylpropane-1,3-diamine
CID 82261405
1-[1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-ylamino]propan-2-ol
CID 82261379
(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
CID 97357815
3,4-dihydro-2H-1,4-benzoxazin-6-ylmethanol
CID 12000271
N-(3,4-dihydro-2H-1,4-benzoxazin-6-ylmethyl)-N-methylaniline
CID 28720339
2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(4-methylphenyl)methyl]ethanamine
CID 82261464
2-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethylamino]propanoic acid
CID 82261439
2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 82261463
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyethanamine
CID 17056671

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(2-methoxyethyl)butan-2-amine?
The IUPAC name of 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(2-methoxyethyl)butan-2-amine (CID 82261347) is 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(2-methoxyethyl)butan-2-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(2-methoxyethyl)butan-2-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(2-methoxyethyl)butan-2-amine is CCC(Cc1ccc2c(c1)NCCO2)NCCOC.
What is the InChIKey of 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(2-methoxyethyl)butan-2-amine?
The InChIKey is UCMUEDJMTOCEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-13(16-6-8-18-2)10-12-4-5-15-14(11-12)17-7-9-19-15/h4-5,11,13,16-17H,3,6-10H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(2-methoxyethyl)butan-2-amine?
1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(2-methoxyethyl)butan-2-amine has a molecular weight of 264.37 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(2-methoxyethyl)butan-2-amine is sourced from PubChem (CID 82261347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).