4-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]phenol

C19H23NO — CID 82966412

IUPAC4-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]phenol
SMILESCCC(c1ccc(O)cc1)N1CCCCc2ccccc21
InChIInChI=1S/C19H23NO/c1-2-18(16-10-12-17(21)13-11-16)20-14-6-5-8-15-7-3-4-9-19(15)20/h3-4,7,9-13,18,21H,2,5-6,8,14H2,1H3
InChIKeyIKGPPRAUUGWIFP-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.69
Rot. Bonds3

About 4-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]phenol

4-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]phenol (PubChem CID 82966412) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]phenol.

Molecular Properties

Compound Name4-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]phenol
PubChem CID82966412
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]phenol
SMILESCCC(c1ccc(O)cc1)N1CCCCc2ccccc21
InChIInChI=1S/C19H23NO/c1-2-18(16-10-12-17(21)13-11-16)20-14-6-5-8-15-7-3-4-9-19(15)20/h3-4,7,9-13,18,21H,2,5-6,8,14H2,1H3
InChIKeyIKGPPRAUUGWIFP-UHFFFAOYSA-N
XLogP4.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]phenol?
The IUPAC name of 4-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]phenol (CID 82966412) is 4-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]phenol.
What is the SMILES notation for 4-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]phenol?
The canonical SMILES for 4-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]phenol is CCC(c1ccc(O)cc1)N1CCCCc2ccccc21.
What is the InChIKey of 4-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]phenol?
The InChIKey is IKGPPRAUUGWIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-18(16-10-12-17(21)13-11-16)20-14-6-5-8-15-7-3-4-9-19(15)20/h3-4,7,9-13,18,21H,2,5-6,8,14H2,1H3.
What are the key properties of 4-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]phenol?
4-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]phenol has a molecular weight of 281.40 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]phenol is sourced from PubChem (CID 82966412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).