6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine

C16H17N — CID 142671195

IUPAC6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESc1ccc(-c2cccc3c2CCNCC3)cc1
InChIInChI=1S/C16H17N/c1-2-5-13(6-3-1)15-8-4-7-14-9-11-17-12-10-16(14)15/h1-8,17H,9-12H2
InChIKeyOVNQGFFYXLTULJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.04
Rot. Bonds1

About 6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine

6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 142671195) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Name6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID142671195
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESc1ccc(-c2cccc3c2CCNCC3)cc1
InChIInChI=1S/C16H17N/c1-2-5-13(6-3-1)15-8-4-7-14-9-11-17-12-10-16(14)15/h1-8,17H,9-12H2
InChIKeyOVNQGFFYXLTULJ-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-6-(2-phenylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
CID 68856105
5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 56863104
1,2,3,4,5,6,7,8-octahydro-3,6-benzodiazecine
CID 156519075
azane;2,3,4,5-tetrahydro-1H-3-benzazepine
CID 135204749
3-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)aniline
CID 139501279
5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 56866430
5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridin-2-one
CID 56869022
2-benzyl-8-phenyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 45263090
N-[[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]methyl]cyclopropanamine
CID 56864418
[(2S)-5-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-dipropylazanium chloride
CID 11186984
6-(4-phenylbut-1-ynyl)-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 70375741
(5S)-8'-phenylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]-2-amine
CID 58466804

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of 6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine (CID 142671195) is 6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for 6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for 6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine is c1ccc(-c2cccc3c2CCNCC3)cc1.
What is the InChIKey of 6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is OVNQGFFYXLTULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-2-5-13(6-3-1)15-8-4-7-14-9-11-17-12-10-16(14)15/h1-8,17H,9-12H2.
What are the key properties of 6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine?
6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 223.32 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 142671195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).