N-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-2-ethylhexan-1-amine

C17H28N2O — CID 107815849

IUPACN-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNCc1cccc2c1OCCN2
InChIInChI=1S/C17H28N2O/c1-3-5-7-14(4-2)12-18-13-15-8-6-9-16-17(15)20-11-10-19-16/h6,8-9,14,18-19H,3-5,7,10-13H2,1-2H3
InChIKeyRKJBXNWOMOTXLR-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.80
Rot. Bonds8

About N-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-2-ethylhexan-1-amine

N-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-2-ethylhexan-1-amine (PubChem CID 107815849) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-2-ethylhexan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-2-ethylhexan-1-amine
PubChem CID107815849
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNCc1cccc2c1OCCN2
InChIInChI=1S/C17H28N2O/c1-3-5-7-14(4-2)12-18-13-15-8-6-9-16-17(15)20-11-10-19-16/h6,8-9,14,18-19H,3-5,7,10-13H2,1-2H3
InChIKeyRKJBXNWOMOTXLR-UHFFFAOYSA-N
XLogP3.80
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-2-ethylhexan-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

Related Compounds

2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine
CID 63420299
N-[(2,3-dimethylphenyl)methyl]-2-ethylhexan-1-amine
CID 55027033
(2R)-N-benzyl-2-ethylhexan-1-amine
CID 11651454
N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-ethylhexan-1-amine
CID 43216994
2-N-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189507
3-[(2-ethylhexylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136701807
2-ethyl-N-[(6-methyl-2-pyridinyl)methyl]hexan-1-amine
CID 62323894
magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336
3-ethyl-N-[(2-methylphenyl)methyl]heptan-1-amine
CID 142055976
3-chloro-2-[(2-ethylhexylamino)methyl]phenol
CID 113276487
2-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]hexan-1-amine
CID 114053767
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)pentan-1-amine
CID 43583339

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-2-ethylhexan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-2-ethylhexan-1-amine (CID 107815849) is N-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-2-ethylhexan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-2-ethylhexan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-2-ethylhexan-1-amine is CCCCC(CC)CNCc1cccc2c1OCCN2.
What is the InChIKey of N-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-2-ethylhexan-1-amine?
The InChIKey is RKJBXNWOMOTXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-5-7-14(4-2)12-18-13-15-8-6-9-16-17(15)20-11-10-19-16/h6,8-9,14,18-19H,3-5,7,10-13H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-2-ethylhexan-1-amine?
N-(3,4-dihydro-2H-1,4-benzoxazin-8-ylmethyl)-2-ethylhexan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 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-8-ylmethyl)-2-ethylhexan-1-amine is sourced from PubChem (CID 107815849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).