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

C18H21NO — CID 82980720

IUPAC2-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]phenol
SMILESCC(c1ccccc1O)N1CCCCc2ccccc21
InChIInChI=1S/C18H21NO/c1-14(16-10-3-5-12-18(16)20)19-13-7-6-9-15-8-2-4-11-17(15)19/h2-5,8,10-12,14,20H,6-7,9,13H2,1H3
InChIKeyXVZRNCHCCYUEEO-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.30
Rot. Bonds2

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

2-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]phenol (PubChem CID 82980720) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]phenol.

Molecular Properties

Compound Name2-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]phenol
PubChem CID82980720
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]phenol
SMILESCC(c1ccccc1O)N1CCCCc2ccccc21
InChIInChI=1S/C18H21NO/c1-14(16-10-3-5-12-18(16)20)19-13-7-6-9-15-8-2-4-11-17(15)19/h2-5,8,10-12,14,20H,6-7,9,13H2,1H3
InChIKeyXVZRNCHCCYUEEO-UHFFFAOYSA-N
XLogP4.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[1-(2,3-dihydroindol-1-yl)ethyl]phenol
CID 82974404
2-[1-(2,3-dihydroindol-1-yl)ethyl]-5-methoxyphenol
CID 82974186
1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-ol
CID 121357629
2-[1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]phenol
CID 82979640
2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 151944573
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 42223767
2-(3,4-dihydro-2H-quinolin-1-yl)-N-propan-2-ylpropan-1-amine
CID 62425260
4-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propyl]phenol
CID 82966412
2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride
CID 12730427
(1R)-1-[2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)phenyl]ethanamine
CID 79009222
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 24506586
(1R)-1-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol
CID 55182824

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]phenol?
The IUPAC name of 2-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]phenol (CID 82980720) is 2-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]phenol.
What is the SMILES notation for 2-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]phenol?
The canonical SMILES for 2-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]phenol is CC(c1ccccc1O)N1CCCCc2ccccc21.
What is the InChIKey of 2-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]phenol?
The InChIKey is XVZRNCHCCYUEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-14(16-10-3-5-12-18(16)20)19-13-7-6-9-15-8-2-4-11-17(15)19/h2-5,8,10-12,14,20H,6-7,9,13H2,1H3.
What are the key properties of 2-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]phenol?
2-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]phenol has a molecular weight of 267.37 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethyl]phenol is sourced from PubChem (CID 82980720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).