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

C19H23NO — CID 82966219

IUPAC4-[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]phenol
SMILESCCC(c1ccc(O)cc1)N1CCc2ccccc2CC1
InChIInChI=1S/C19H23NO/c1-2-19(17-7-9-18(21)10-8-17)20-13-11-15-5-3-4-6-16(15)12-14-20/h3-10,19,21H,2,11-14H2,1H3
InChIKeyAMFCVRHTIZVIEX-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.94
Rot. Bonds3

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

4-[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]phenol (PubChem CID 82966219) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]phenol.

Molecular Properties

Compound Name4-[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]phenol
PubChem CID82966219
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]phenol
SMILESCCC(c1ccc(O)cc1)N1CCc2ccccc2CC1
InChIInChI=1S/C19H23NO/c1-2-19(17-7-9-18(21)10-8-17)20-13-11-15-5-3-4-6-16(15)12-14-20/h3-10,19,21H,2,11-14H2,1H3
InChIKeyAMFCVRHTIZVIEX-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82962513
4-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]phenol
CID 82966412
4-[1-[4-(1-aminoethyl)piperidin-1-yl]propyl]phenol
CID 63595309
3-pentan-3-yl-1,2,4,5-tetrahydro-3-benzazepine
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4-[1-(3-aminoazetidin-1-yl)propyl]phenol
CID 65244836
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
2-[1-(4-bromophenyl)propyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522278
4-[1-(3-methoxypiperidin-1-yl)propyl]phenol
CID 102969248
4-[1-(2-phenylpyrrolidin-1-yl)propyl]phenol
CID 82959518
4-[1-(2-propan-2-ylpyrrolidin-1-yl)propyl]phenol
CID 82983105
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]phenol?
The IUPAC name of 4-[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]phenol (CID 82966219) is 4-[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]phenol.
What is the SMILES notation for 4-[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]phenol?
The canonical SMILES for 4-[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]phenol is CCC(c1ccc(O)cc1)N1CCc2ccccc2CC1.
What is the InChIKey of 4-[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]phenol?
The InChIKey is AMFCVRHTIZVIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-19(17-7-9-18(21)10-8-17)20-13-11-15-5-3-4-6-16(15)12-14-20/h3-10,19,21H,2,11-14H2,1H3.
What are the key properties of 4-[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]phenol?
4-[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]phenol has a molecular weight of 281.40 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]phenol is sourced from PubChem (CID 82966219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).