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

C16H24N2O — CID 103314104

IUPAC3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)morpholine
SMILESCC1(C)COCCN1C1CCc2ccccc2NC1
InChIInChI=1S/C16H24N2O/c1-16(2)12-19-10-9-18(16)14-8-7-13-5-3-4-6-15(13)17-11-14/h3-6,14,17H,7-12H2,1-2H3
InChIKeyIHTLMUMSMPHHFX-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.52
Rot. Bonds1

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

3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)morpholine (PubChem CID 103314104) 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-1-benzazepin-3-yl)morpholine.

Molecular Properties

Compound Name3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)morpholine
PubChem CID103314104
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)morpholine
SMILESCC1(C)COCCN1C1CCc2ccccc2NC1
InChIInChI=1S/C16H24N2O/c1-16(2)12-19-10-9-18(16)14-8-7-13-5-3-4-6-15(13)17-11-14/h3-6,14,17H,7-12H2,1-2H3
InChIKeyIHTLMUMSMPHHFX-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methyl-1,4-diazepan-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103313979
3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)morpholine
CID 103983272
3-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 84717070
3-(benzotriazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314241
4-(1,2,3,4-tetrahydroquinolin-3-yl)-1,4-oxazepane
CID 62973234
3-[3-(trifluoromethyl)piperidin-1-yl]-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103313957
(3S)-N,N-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine
CID 124681115
3-(benzimidazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314238
3-(3,5-diethyl-1,2,4-triazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314260
(3R)-3-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 125481085
3-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 103496426
N,N-dimethyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)piperidin-4-amine
CID 54861271

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)morpholine?
The IUPAC name of 3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)morpholine (CID 103314104) is 3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)morpholine.
What is the SMILES notation for 3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)morpholine?
The canonical SMILES for 3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)morpholine is CC1(C)COCCN1C1CCc2ccccc2NC1.
What is the InChIKey of 3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)morpholine?
The InChIKey is IHTLMUMSMPHHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2)12-19-10-9-18(16)14-8-7-13-5-3-4-6-15(13)17-11-14/h3-6,14,17H,7-12H2,1-2H3.
What are the key properties of 3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)morpholine?
3,3-dimethyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)morpholine has a molecular weight of 260.38 g/mol, XLogP of 2.52, 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-1-benzazepin-3-yl)morpholine is sourced from PubChem (CID 103314104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).