(5R)-5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride

C17H20ClN — CID 69441427

IUPAC(5R)-5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
SMILESC[C@H]1CNCCc2ccc(-c3ccccc3)cc21.Cl
InChIInChI=1S/C17H19N.ClH/c1-13-12-18-10-9-15-7-8-16(11-17(13)15)14-5-3-2-4-6-14;/h2-8,11,13,18H,9-10,12H2,1H3;1H/t13-;/m0./s1
InChIKeyQQUVJGHLXOMDRW-ZOWNYOTGSA-N
MW273.81 g/mol
LogP4.02
Rot. Bonds1

About (5R)-5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride

(5R)-5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride (PubChem CID 69441427) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is (5R)-5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride.

Molecular Properties

Compound Name(5R)-5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
PubChem CID69441427
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name(5R)-5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
SMILESC[C@H]1CNCCc2ccc(-c3ccccc3)cc21.Cl
InChIInChI=1S/C17H19N.ClH/c1-13-12-18-10-9-15-7-8-16(11-17(13)15)14-5-3-2-4-6-14;/h2-8,11,13,18H,9-10,12H2,1H3;1H/t13-;/m0./s1
InChIKeyQQUVJGHLXOMDRW-ZOWNYOTGSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride?
The IUPAC name of (5R)-5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride (CID 69441427) is (5R)-5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride.
What is the SMILES notation for (5R)-5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride?
The canonical SMILES for (5R)-5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride is C[C@H]1CNCCc2ccc(-c3ccccc3)cc21.Cl.
What is the InChIKey of (5R)-5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride?
The InChIKey is QQUVJGHLXOMDRW-ZOWNYOTGSA-N. The full InChI is InChI=1S/C17H19N.ClH/c1-13-12-18-10-9-15-7-8-16(11-17(13)15)14-5-3-2-4-6-14;/h2-8,11,13,18H,9-10,12H2,1H3;1H/t13-;/m0./s1.
What are the key properties of (5R)-5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride?
(5R)-5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride has a molecular weight of 273.81 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-7-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride is sourced from PubChem (CID 69441427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).