[4-(dimethylamino)phenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone

C19H22N2O — CID 26434734

IUPAC[4-(dimethylamino)phenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
SMILESCN(C)c1ccc(C(=O)N2CCCCc3ccccc32)cc1
InChIInChI=1S/C19H22N2O/c1-20(2)17-12-10-16(11-13-17)19(22)21-14-6-5-8-15-7-3-4-9-18(15)21/h3-4,7,9-13H,5-6,8,14H2,1-2H3
InChIKeyINZAROOSMJAFEE-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.74
Rot. Bonds2

About [4-(dimethylamino)phenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone

[4-(dimethylamino)phenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone (PubChem CID 26434734) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
PubChem CID26434734
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name[4-(dimethylamino)phenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
SMILESCN(C)c1ccc(C(=O)N2CCCCc3ccccc32)cc1
InChIInChI=1S/C19H22N2O/c1-20(2)17-12-10-16(11-13-17)19(22)21-14-6-5-8-15-7-3-4-9-18(15)21/h3-4,7,9-13H,5-6,8,14H2,1-2H3
InChIKeyINZAROOSMJAFEE-UHFFFAOYSA-N
XLogP3.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone (CID 26434734) is [4-(dimethylamino)phenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone is CN(C)c1ccc(C(=O)N2CCCCc3ccccc32)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
The InChIKey is INZAROOSMJAFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-20(2)17-12-10-16(11-13-17)19(22)21-14-6-5-8-15-7-3-4-9-18(15)21/h3-4,7,9-13H,5-6,8,14H2,1-2H3.
What are the key properties of [4-(dimethylamino)phenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
[4-(dimethylamino)phenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone has a molecular weight of 294.40 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone is sourced from PubChem (CID 26434734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).