8-(methoxymethyl)-3-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol

C18H21NO2 — CID 57096083

IUPAC8-(methoxymethyl)-3-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
SMILESCOCc1cc2c(cc1O)CCN(c1ccccc1)CC2
InChIInChI=1S/C18H21NO2/c1-21-13-16-11-14-7-9-19(17-5-3-2-4-6-17)10-8-15(14)12-18(16)20/h2-6,11-12,20H,7-10,13H2,1H3
InChIKeyFJTFWWABGFTBLB-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.14
Rot. Bonds3

About 8-(methoxymethyl)-3-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol

8-(methoxymethyl)-3-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol (PubChem CID 57096083) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 8-(methoxymethyl)-3-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol.

Molecular Properties

Compound Name8-(methoxymethyl)-3-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
PubChem CID57096083
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name8-(methoxymethyl)-3-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
SMILESCOCc1cc2c(cc1O)CCN(c1ccccc1)CC2
InChIInChI=1S/C18H21NO2/c1-21-13-16-11-14-7-9-19(17-5-3-2-4-6-17)10-8-15(14)12-18(16)20/h2-6,11-12,20H,7-10,13H2,1H3
InChIKeyFJTFWWABGFTBLB-UHFFFAOYSA-N
XLogP3.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(methoxymethyl)-3-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The IUPAC name of 8-(methoxymethyl)-3-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol (CID 57096083) is 8-(methoxymethyl)-3-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol.
What is the SMILES notation for 8-(methoxymethyl)-3-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The canonical SMILES for 8-(methoxymethyl)-3-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol is COCc1cc2c(cc1O)CCN(c1ccccc1)CC2.
What is the InChIKey of 8-(methoxymethyl)-3-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
The InChIKey is FJTFWWABGFTBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-21-13-16-11-14-7-9-19(17-5-3-2-4-6-17)10-8-15(14)12-18(16)20/h2-6,11-12,20H,7-10,13H2,1H3.
What are the key properties of 8-(methoxymethyl)-3-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol?
8-(methoxymethyl)-3-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol has a molecular weight of 283.37 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methoxymethyl)-3-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol is sourced from PubChem (CID 57096083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).