(5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol

C16H17NO — CID 10037257

IUPAC(5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol
SMILESOc1ccc2c(c1)[C@@H](c1ccccc1)CNCC2
InChIInChI=1S/C16H17NO/c18-14-7-6-13-8-9-17-11-16(15(13)10-14)12-4-2-1-3-5-12/h1-7,10,16-18H,8-9,11H2/t16-/m1/s1
InChIKeySNXWZKKKYZCZRK-MRXNPFEDSA-N
MW239.32 g/mol
LogP2.67
Rot. Bonds1

About (5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol

(5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol (PubChem CID 10037257) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol.

Molecular Properties

Compound Name(5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol
PubChem CID10037257
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol
SMILESOc1ccc2c(c1)[C@@H](c1ccccc1)CNCC2
InChIInChI=1S/C16H17NO/c18-14-7-6-13-8-9-17-11-16(15(13)10-14)12-4-2-1-3-5-12/h1-7,10,16-18H,8-9,11H2/t16-/m1/s1
InChIKeySNXWZKKKYZCZRK-MRXNPFEDSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;hydrobromide
CID 118987331
(5S)-8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol
CID 102328393
5-(3-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;hydrobromide
CID 21450204
3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrochloride
CID 45262761
N-(8-hydroxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methanesulfonamide
CID 12928482
3-phenyl-2,3-dihydro-1H-isoindol-5-ol
CID 84734566
(5-phenyl-7-propanoyloxy-2,3,4,5-tetrahydro-1H-3-benzazepin-8-yl) propanoate;hydrochloride
CID 161238561
8-phenoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
CID 16737353
7-phenyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-10-ol;dihydrochloride
CID 21292058
6-fluoro-4-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 119030248
5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
CID 15111052
9-ethyl-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
CID 20529930

Frequently Asked Questions

What is the IUPAC name of (5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol?
The IUPAC name of (5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol (CID 10037257) is (5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol.
What is the SMILES notation for (5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol?
The canonical SMILES for (5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol is Oc1ccc2c(c1)[C@@H](c1ccccc1)CNCC2.
What is the InChIKey of (5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol?
The InChIKey is SNXWZKKKYZCZRK-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17NO/c18-14-7-6-13-8-9-17-11-16(15(13)10-14)12-4-2-1-3-5-12/h1-7,10,16-18H,8-9,11H2/t16-/m1/s1.
What are the key properties of (5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol?
(5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol has a molecular weight of 239.32 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol is sourced from PubChem (CID 10037257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).