5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepin-8-ol

C12H17NO — CID 168876491

IUPAC5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepin-8-ol
SMILESCC1(C)CNCCc2cc(O)ccc21
InChIInChI=1S/C12H17NO/c1-12(2)8-13-6-5-9-7-10(14)3-4-11(9)12/h3-4,7,13-14H,5-6,8H2,1-2H3
InChIKeyDMAZLRRWXWZSKR-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.82
Rot. Bonds

About 5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepin-8-ol

5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepin-8-ol (PubChem CID 168876491) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepin-8-ol.

Molecular Properties

Compound Name5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepin-8-ol
PubChem CID168876491
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepin-8-ol
SMILESCC1(C)CNCCc2cc(O)ccc21
InChIInChI=1S/C12H17NO/c1-12(2)8-13-6-5-9-7-10(14)3-4-11(9)12/h3-4,7,13-14H,5-6,8H2,1-2H3
InChIKeyDMAZLRRWXWZSKR-UHFFFAOYSA-N
XLogP1.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepin-8-ol?
The IUPAC name of 5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepin-8-ol (CID 168876491) is 5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepin-8-ol.
What is the SMILES notation for 5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepin-8-ol?
The canonical SMILES for 5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepin-8-ol is CC1(C)CNCCc2cc(O)ccc21.
What is the InChIKey of 5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepin-8-ol?
The InChIKey is DMAZLRRWXWZSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(2)8-13-6-5-9-7-10(14)3-4-11(9)12/h3-4,7,13-14H,5-6,8H2,1-2H3.
What are the key properties of 5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepin-8-ol?
5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepin-8-ol has a molecular weight of 191.27 g/mol, XLogP of 1.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1,2,3,4-tetrahydro-3-benzazepin-8-ol is sourced from PubChem (CID 168876491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).