3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)morpholine

C16H24N2O — CID 103983272

IUPAC3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)morpholine
SMILESCC1(C)COCCN1C1CCNCc2ccccc21
InChIInChI=1S/C16H24N2O/c1-16(2)12-19-10-9-18(16)15-7-8-17-11-13-5-3-4-6-14(13)15/h3-6,15,17H,7-12H2,1-2H3
InChIKeyFPQFJRBQSBEJFW-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.33
Rot. Bonds1

About 3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)morpholine

3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)morpholine (PubChem CID 103983272) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)morpholine.

Molecular Properties

Compound Name3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)morpholine
PubChem CID103983272
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)morpholine
SMILESCC1(C)COCCN1C1CCNCc2ccccc21
InChIInChI=1S/C16H24N2O/c1-16(2)12-19-10-9-18(16)15-7-8-17-11-13-5-3-4-6-14(13)15/h3-6,15,17H,7-12H2,1-2H3
InChIKeyFPQFJRBQSBEJFW-UHFFFAOYSA-N
XLogP2.33
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63938983
2,2-dimethyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazine
CID 65461092
5-(4-propan-2-ylpiperazin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 103983221
3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)morpholine
CID 103314104
1-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)-1,4-diazepan-1-yl]ethanone
CID 103983370
[1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidin-4-yl]methanol
CID 103983164
N,N-diethyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)pyrrolidin-3-amine
CID 103983445
3-ethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperazine-2,6-dione
CID 103983515
N-methyl-1-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)piperidine-4-carboxamide
CID 103983216
5-(2-ethyl-5-methylpyrrolidin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 103983588
5-(4-benzylpiperazin-1-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 113361696
4-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,4-oxazepane
CID 63939569

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)morpholine?
The IUPAC name of 3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)morpholine (CID 103983272) is 3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)morpholine.
What is the SMILES notation for 3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)morpholine?
The canonical SMILES for 3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)morpholine is CC1(C)COCCN1C1CCNCc2ccccc21.
What is the InChIKey of 3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)morpholine?
The InChIKey is FPQFJRBQSBEJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2)12-19-10-9-18(16)15-7-8-17-11-13-5-3-4-6-14(13)15/h3-6,15,17H,7-12H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)morpholine?
3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)morpholine has a molecular weight of 260.38 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)morpholine is sourced from PubChem (CID 103983272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).