4-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylbutan-2-ol

C17H28N2O — CID 114336423

IUPAC4-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylbutan-2-ol
SMILESCCNC1CCCN(CCC(C)(C)O)c2ccccc21
InChIInChI=1S/C17H28N2O/c1-4-18-15-9-7-12-19(13-11-17(2,3)20)16-10-6-5-8-14(15)16/h5-6,8,10,15,18,20H,4,7,9,11-13H2,1-3H3
InChIKeyXFTANLMJDZHEDT-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.10
Rot. Bonds5

About 4-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylbutan-2-ol

4-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylbutan-2-ol (PubChem CID 114336423) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylbutan-2-ol
PubChem CID114336423
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylbutan-2-ol
SMILESCCNC1CCCN(CCC(C)(C)O)c2ccccc21
InChIInChI=1S/C17H28N2O/c1-4-18-15-9-7-12-19(13-11-17(2,3)20)16-10-6-5-8-14(15)16/h5-6,8,10,15,18,20H,4,7,9,11-13H2,1-3H3
InChIKeyXFTANLMJDZHEDT-UHFFFAOYSA-N
XLogP3.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylbutan-2-ol (CID 114336423) is 4-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylbutan-2-ol is CCNC1CCCN(CCC(C)(C)O)c2ccccc21.
What is the InChIKey of 4-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylbutan-2-ol?
The InChIKey is XFTANLMJDZHEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-18-15-9-7-12-19(13-11-17(2,3)20)16-10-6-5-8-14(15)16/h5-6,8,10,15,18,20H,4,7,9,11-13H2,1-3H3.
What are the key properties of 4-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylbutan-2-ol?
4-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylbutan-2-ol has a molecular weight of 276.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(ethylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 114336423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).