2-(2-phenylmethoxyethyl)-1,3,4,5-tetrahydro-2-benzazepine

C19H23NO — CID 157014112

IUPAC2-(2-phenylmethoxyethyl)-1,3,4,5-tetrahydro-2-benzazepine
SMILESc1ccc(COCCN2CCCc3ccccc3C2)cc1
InChIInChI=1S/C19H23NO/c1-2-7-17(8-3-1)16-21-14-13-20-12-6-11-18-9-4-5-10-19(18)15-20/h1-5,7-10H,6,11-16H2
InChIKeyKATRIIIWBIZOFH-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.65
Rot. Bonds5

About 2-(2-phenylmethoxyethyl)-1,3,4,5-tetrahydro-2-benzazepine

2-(2-phenylmethoxyethyl)-1,3,4,5-tetrahydro-2-benzazepine (PubChem CID 157014112) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(2-phenylmethoxyethyl)-1,3,4,5-tetrahydro-2-benzazepine.

Molecular Properties

Compound Name2-(2-phenylmethoxyethyl)-1,3,4,5-tetrahydro-2-benzazepine
PubChem CID157014112
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-(2-phenylmethoxyethyl)-1,3,4,5-tetrahydro-2-benzazepine
SMILESc1ccc(COCCN2CCCc3ccccc3C2)cc1
InChIInChI=1S/C19H23NO/c1-2-7-17(8-3-1)16-21-14-13-20-12-6-11-18-9-4-5-10-19(18)15-20/h1-5,7-10H,6,11-16H2
InChIKeyKATRIIIWBIZOFH-UHFFFAOYSA-N
XLogP3.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine
CID 10732658
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
2-benzyl-1,3,4,5-tetrahydro-2-benzazepine;dihydrochloride
CID 142634815
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanamine
CID 39244545
1-(2-phenylmethoxyethyl)piperazine;dihydrochloride
CID 154704526
N-(2-methoxyethyl)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-amine
CID 63153557
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-2-amine
CID 63155176
bis(3-[4-(2-phenylmethoxyethyl)piperazin-1-yl]propanoic acid);hydrate
CID 156599366
2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetic acid
CID 54461030
N-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]propan-1-amine
CID 63155260
3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanethioamide
CID 63152920

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxyethyl)-1,3,4,5-tetrahydro-2-benzazepine?
The IUPAC name of 2-(2-phenylmethoxyethyl)-1,3,4,5-tetrahydro-2-benzazepine (CID 157014112) is 2-(2-phenylmethoxyethyl)-1,3,4,5-tetrahydro-2-benzazepine.
What is the SMILES notation for 2-(2-phenylmethoxyethyl)-1,3,4,5-tetrahydro-2-benzazepine?
The canonical SMILES for 2-(2-phenylmethoxyethyl)-1,3,4,5-tetrahydro-2-benzazepine is c1ccc(COCCN2CCCc3ccccc3C2)cc1.
What is the InChIKey of 2-(2-phenylmethoxyethyl)-1,3,4,5-tetrahydro-2-benzazepine?
The InChIKey is KATRIIIWBIZOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-7-17(8-3-1)16-21-14-13-20-12-6-11-18-9-4-5-10-19(18)15-20/h1-5,7-10H,6,11-16H2.
What are the key properties of 2-(2-phenylmethoxyethyl)-1,3,4,5-tetrahydro-2-benzazepine?
2-(2-phenylmethoxyethyl)-1,3,4,5-tetrahydro-2-benzazepine has a molecular weight of 281.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxyethyl)-1,3,4,5-tetrahydro-2-benzazepine is sourced from PubChem (CID 157014112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).