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

C15H24N2O — CID 65247542

IUPAC4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,2-dimethylbutan-1-amine
SMILESCC(C)(CN)CCN1CCOc2ccccc2C1
InChIInChI=1S/C15H24N2O/c1-15(2,12-16)7-8-17-9-10-18-14-6-4-3-5-13(14)11-17/h3-6H,7-12,16H2,1-2H3
InChIKeyOABXOWBNKHFMOR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.26
Rot. Bonds4

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

4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,2-dimethylbutan-1-amine (PubChem CID 65247542) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,2-dimethylbutan-1-amine
PubChem CID65247542
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,2-dimethylbutan-1-amine
SMILESCC(C)(CN)CCN1CCOc2ccccc2C1
InChIInChI=1S/C15H24N2O/c1-15(2,12-16)7-8-17-9-10-18-14-6-4-3-5-13(14)11-17/h3-6H,7-12,16H2,1-2H3
InChIKeyOABXOWBNKHFMOR-UHFFFAOYSA-N
XLogP2.26
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylbutanamide
CID 63192985
4-propyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 121184859
3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,2,2-trimethylpropan-1-amine
CID 63192911
2-(cyclopropylamino)-4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylbutanenitrile
CID 63193336
6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)hexan-2-amine
CID 63189422
2-amino-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylpropanenitrile
CID 63193160
5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pentan-2-ol
CID 55160022
5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-ethylpentan-2-amine
CID 63189420
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)butanehydrazide
CID 63585572
[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)cyclopropyl]methanamine
CID 113313048
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)prop-2-en-1-amine
CID 103070559
[5-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3-methylfuran-2-yl]methanamine
CID 63193178

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,2-dimethylbutan-1-amine (CID 65247542) is 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,2-dimethylbutan-1-amine is CC(C)(CN)CCN1CCOc2ccccc2C1.
What is the InChIKey of 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,2-dimethylbutan-1-amine?
The InChIKey is OABXOWBNKHFMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,12-16)7-8-17-9-10-18-14-6-4-3-5-13(14)11-17/h3-6H,7-12,16H2,1-2H3.
What are the key properties of 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,2-dimethylbutan-1-amine?
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,2-dimethylbutan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 65247542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).