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

C14H22N2O — CID 82096952

IUPACN-ethyl-3-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
SMILESCCNCCCN1CCOc2ccc(C)cc21
InChIInChI=1S/C14H22N2O/c1-3-15-7-4-8-16-9-10-17-14-6-5-12(2)11-13(14)16/h5-6,11,15H,3-4,7-10H2,1-2H3
InChIKeyBRVIJFALIMNOTM-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.19
Rot. Bonds5

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

N-ethyl-3-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine (PubChem CID 82096952) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-ethyl-3-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
PubChem CID82096952
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-ethyl-3-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine
SMILESCCNCCCN1CCOc2ccc(C)cc21
InChIInChI=1S/C14H22N2O/c1-3-15-7-4-8-16-9-10-17-14-6-5-12(2)11-13(14)16/h5-6,11,15H,3-4,7-10H2,1-2H3
InChIKeyBRVIJFALIMNOTM-UHFFFAOYSA-N
XLogP2.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-3-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine?
The IUPAC name of N-ethyl-3-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine (CID 82096952) is N-ethyl-3-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine is CCNCCCN1CCOc2ccc(C)cc21.
What is the InChIKey of N-ethyl-3-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine?
The InChIKey is BRVIJFALIMNOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-15-7-4-8-16-9-10-17-14-6-5-12(2)11-13(14)16/h5-6,11,15H,3-4,7-10H2,1-2H3.
What are the key properties of N-ethyl-3-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine?
N-ethyl-3-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine has a molecular weight of 234.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-amine is sourced from PubChem (CID 82096952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).