N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-ethylbutan-1-amine

C15H24N2O — CID 43199652

IUPACN-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-ethylbutan-1-amine
SMILESCCCCN(CC)CC1CNc2ccccc2O1
InChIInChI=1S/C15H24N2O/c1-3-5-10-17(4-2)12-13-11-16-14-8-6-7-9-15(14)18-13/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyTVLRSPBJKXVQPB-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.98
Rot. Bonds6

About N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-ethylbutan-1-amine

N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-ethylbutan-1-amine (PubChem CID 43199652) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-ethylbutan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-ethylbutan-1-amine
PubChem CID43199652
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-ethylbutan-1-amine
SMILESCCCCN(CC)CC1CNc2ccccc2O1
InChIInChI=1S/C15H24N2O/c1-3-5-10-17(4-2)12-13-11-16-14-8-6-7-9-15(14)18-13/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyTVLRSPBJKXVQPB-UHFFFAOYSA-N
XLogP2.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-ethylbutan-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-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-ethylbutan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-ethylbutan-1-amine (CID 43199652) is N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-ethylbutan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-ethylbutan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-ethylbutan-1-amine is CCCCN(CC)CC1CNc2ccccc2O1.
What is the InChIKey of N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-ethylbutan-1-amine?
The InChIKey is TVLRSPBJKXVQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-5-10-17(4-2)12-13-11-16-14-8-6-7-9-15(14)18-13/h6-9,13,16H,3-5,10-12H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-ethylbutan-1-amine?
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-ethylbutan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-ethylbutan-1-amine is sourced from PubChem (CID 43199652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).