3-(2-chlorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine

C16H16ClNO — CID 103314300

IUPAC3-(2-chlorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESClc1ccccc1OC1CCc2ccccc2NC1
InChIInChI=1S/C16H16ClNO/c17-14-6-2-4-8-16(14)19-13-10-9-12-5-1-3-7-15(12)18-11-13/h1-8,13,18H,9-11H2
InChIKeyRJMBHCGLIIVQRQ-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.15
Rot. Bonds2

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

3-(2-chlorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine (PubChem CID 103314300) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
PubChem CID103314300
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name3-(2-chlorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESClc1ccccc1OC1CCc2ccccc2NC1
InChIInChI=1S/C16H16ClNO/c17-14-6-2-4-8-16(14)19-13-10-9-12-5-1-3-7-15(12)18-11-13/h1-8,13,18H,9-11H2
InChIKeyRJMBHCGLIIVQRQ-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-fluorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314344
(3R)-3-(4-methoxyphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 124637397
3-(4-methylphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314319
3-(2,2-difluoroethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314400
3-(2-chlorophenoxy)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103314556
3-(3-fluorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314313
3-(2-chlorophenoxy)azetidine;hydrochloride
CID 66591566
3-(4-fluoro-3-methylphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314398
3-(3-ethylphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314321
3-(3-bromo-4-fluorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314408
3-(3-ethoxyphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314356
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314422

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine?
The IUPAC name of 3-(2-chlorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine (CID 103314300) is 3-(2-chlorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine.
What is the SMILES notation for 3-(2-chlorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine?
The canonical SMILES for 3-(2-chlorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine is Clc1ccccc1OC1CCc2ccccc2NC1.
What is the InChIKey of 3-(2-chlorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine?
The InChIKey is RJMBHCGLIIVQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-14-6-2-4-8-16(14)19-13-10-9-12-5-1-3-7-15(12)18-11-13/h1-8,13,18H,9-11H2.
What are the key properties of 3-(2-chlorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine?
3-(2-chlorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine has a molecular weight of 273.76 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine is sourced from PubChem (CID 103314300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).