2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-methoxy-3-methylbutan-1-amine

C15H24N2O2 — CID 116501869

IUPAC2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-methoxy-3-methylbutan-1-amine
SMILESCOCC(C)C(CN)N1CCCOc2ccccc21
InChIInChI=1S/C15H24N2O2/c1-12(11-18-2)14(10-16)17-8-5-9-19-15-7-4-3-6-13(15)17/h3-4,6-7,12,14H,5,8-11,16H2,1-2H3
InChIKeyRPXLLWPBWSPGTJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.89
Rot. Bonds5

About 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-methoxy-3-methylbutan-1-amine

2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-methoxy-3-methylbutan-1-amine (PubChem CID 116501869) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-methoxy-3-methylbutan-1-amine
PubChem CID116501869
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-methoxy-3-methylbutan-1-amine
SMILESCOCC(C)C(CN)N1CCCOc2ccccc21
InChIInChI=1S/C15H24N2O2/c1-12(11-18-2)14(10-16)17-8-5-9-19-15-7-4-3-6-13(15)17/h3-4,6-7,12,14H,5,8-11,16H2,1-2H3
InChIKeyRPXLLWPBWSPGTJ-UHFFFAOYSA-N
XLogP1.89
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-N-ethyl-3-methoxypropan-1-amine
CID 103227201
2-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)ethanamine
CID 113366572
1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-methoxypropan-2-ol
CID 112706609
1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106992213
4-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-N-methylpentan-1-amine
CID 113366656
N-amino-N'-(2-methoxyethyl)-3,4-dihydro-2H-1,5-benzoxazepine-5-carboximidamide
CID 116516268
2-(4-benzylpiperazin-1-yl)-4-methoxy-3-methylbutan-1-amine
CID 116501576
methyl 3,4-dihydro-2H-1,5-benzoxazepine-5-carboxylate
CID 66829621
1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-2-methylpropan-1-one
CID 112703215
[2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510701
5-iodo-3,4-dihydro-2H-1,5-benzoxazepine
CID 145151129
4-[2-(2-methoxyethoxy)ethyl]-2,3-dihydro-1,4-benzoxazine
CID 163276565

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-methoxy-3-methylbutan-1-amine?
The IUPAC name of 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-methoxy-3-methylbutan-1-amine (CID 116501869) is 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-methoxy-3-methylbutan-1-amine is COCC(C)C(CN)N1CCCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-methoxy-3-methylbutan-1-amine?
The InChIKey is RPXLLWPBWSPGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(11-18-2)14(10-16)17-8-5-9-19-15-7-4-3-6-13(15)17/h3-4,6-7,12,14H,5,8-11,16H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-methoxy-3-methylbutan-1-amine?
2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-methoxy-3-methylbutan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 116501869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).