N-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

C12H18N2O — CID 103982717

IUPACN-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCCONC1CCNCc2ccccc21
InChIInChI=1S/C12H18N2O/c1-2-15-14-12-7-8-13-9-10-5-3-4-6-11(10)12/h3-6,12-14H,2,7-9H2,1H3
InChIKeyYFEZBGZMEPEGIC-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.76
Rot. Bonds3

About N-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

N-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 103982717) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID103982717
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESCCONC1CCNCc2ccccc21
InChIInChI=1S/C12H18N2O/c1-2-15-14-12-7-8-13-9-10-5-3-4-6-11(10)12/h3-6,12-14H,2,7-9H2,1H3
InChIKeyYFEZBGZMEPEGIC-UHFFFAOYSA-N
XLogP1.76
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclobutylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980896
N-(2-methylbutyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361569
N-(cyclohexylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980910
N-[(1-methylpiperidin-4-yl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981901
N-but-3-ynyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982195
N-(2,2-dimethylcyclopropyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361558
N-(2-cyclopropylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361593
N-cycloheptyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980640
methyl 4-methyl-2-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pentanoate
CID 103981137
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981792
2,4-dimethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pentan-2-ol
CID 103982395
N-(2-cyclopentylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981580

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 103982717) is N-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is CCONC1CCNCc2ccccc21.
What is the InChIKey of N-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is YFEZBGZMEPEGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-15-14-12-7-8-13-9-10-5-3-4-6-11(10)12/h3-6,12-14H,2,7-9H2,1H3.
What are the key properties of N-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 206.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 103982717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).