2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-N-ethyl-3-methoxypropan-1-amine

C15H24N2O2 — CID 103227201

IUPAC2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-N-ethyl-3-methoxypropan-1-amine
SMILESCCNCC(COC)N1CCCOc2ccccc21
InChIInChI=1S/C15H24N2O2/c1-3-16-11-13(12-18-2)17-9-6-10-19-15-8-5-4-7-14(15)17/h4-5,7-8,13,16H,3,6,9-12H2,1-2H3
InChIKeyNEZQZRRGRWGIJL-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.90
Rot. Bonds6

About 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-N-ethyl-3-methoxypropan-1-amine

2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-N-ethyl-3-methoxypropan-1-amine (PubChem CID 103227201) 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)-N-ethyl-3-methoxypropan-1-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-N-ethyl-3-methoxypropan-1-amine
PubChem CID103227201
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-N-ethyl-3-methoxypropan-1-amine
SMILESCCNCC(COC)N1CCCOc2ccccc21
InChIInChI=1S/C15H24N2O2/c1-3-16-11-13(12-18-2)17-9-6-10-19-15-8-5-4-7-14(15)17/h4-5,7-8,13,16H,3,6,9-12H2,1-2H3
InChIKeyNEZQZRRGRWGIJL-UHFFFAOYSA-N
XLogP1.90
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-4-methoxy-3-methylbutan-1-amine
CID 116501869
1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-3-methoxypropan-2-ol
CID 112706609
methyl 3,4-dihydro-2H-1,5-benzoxazepine-5-carboxylate
CID 66829621
2-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxy-N-methylpropan-1-amine
CID 103225397
N-ethyl-3-methoxy-2-(4-phenylpiperazin-1-yl)propan-1-amine
CID 103225282
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
2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethylbutan-1-amine
CID 62425422
N-amino-N'-(2-methoxyethyl)-3,4-dihydro-2H-1,5-benzoxazepine-5-carboximidamide
CID 116516268
2-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)ethanamine
CID 113366572
N,N-diethyl-3,4-dihydro-2H-1,5-benzoxazepine-5-carboxamide
CID 116657610
N-(2-methoxyethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 53016747

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-N-ethyl-3-methoxypropan-1-amine?
The IUPAC name of 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-N-ethyl-3-methoxypropan-1-amine (CID 103227201) is 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-N-ethyl-3-methoxypropan-1-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-N-ethyl-3-methoxypropan-1-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-N-ethyl-3-methoxypropan-1-amine is CCNCC(COC)N1CCCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-N-ethyl-3-methoxypropan-1-amine?
The InChIKey is NEZQZRRGRWGIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-16-11-13(12-18-2)17-9-6-10-19-15-8-5-4-7-14(15)17/h4-5,7-8,13,16H,3,6,9-12H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-N-ethyl-3-methoxypropan-1-amine?
2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-N-ethyl-3-methoxypropan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 1.90, 6 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)-N-ethyl-3-methoxypropan-1-amine is sourced from PubChem (CID 103227201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).