[(2S)-5-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-dipropylazanium chloride

C22H30ClN — CID 11186984

IUPAC[(2S)-5-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-dipropylazanium chloride
SMILESCCC[NH+](CCC)[C@H]1CCc2c(cccc2-c2ccccc2)C1.[Cl-]
InChIInChI=1S/C22H29N.ClH/c1-3-15-23(16-4-2)20-13-14-22-19(17-20)11-8-12-21(22)18-9-6-5-7-10-18;/h5-12,20H,3-4,13-17H2,1-2H3;1H/t20-;/m0./s1
InChIKeyVXQJFGDTOXXUOZ-BDQAORGHSA-N
MW343.94 g/mol
LogP0.92
Rot. Bonds6

About [(2S)-5-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-dipropylazanium chloride

[(2S)-5-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-dipropylazanium chloride (PubChem CID 11186984) has the molecular formula C22H30ClN and a molecular weight of 343.94 g/mol. Its IUPAC name is [(2S)-5-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-dipropylazanium chloride.

Molecular Properties

Compound Name[(2S)-5-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-dipropylazanium chloride
PubChem CID11186984
Molecular FormulaC22H30ClN
Molecular Weight343.94 g/mol
Exact Mass343.21
IUPAC Name[(2S)-5-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-dipropylazanium chloride
SMILESCCC[NH+](CCC)[C@H]1CCc2c(cccc2-c2ccccc2)C1.[Cl-]
InChIInChI=1S/C22H29N.ClH/c1-3-15-23(16-4-2)20-13-14-22-19(17-20)11-8-12-21(22)18-9-6-5-7-10-18;/h5-12,20H,3-4,13-17H2,1-2H3;1H/t20-;/m0./s1
InChIKeyVXQJFGDTOXXUOZ-BDQAORGHSA-N
XLogP0.92
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.94
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(2S)-5-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-dipropylazanium chloride?
The IUPAC name of [(2S)-5-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-dipropylazanium chloride (CID 11186984) is [(2S)-5-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-dipropylazanium chloride.
What is the SMILES notation for [(2S)-5-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-dipropylazanium chloride?
The canonical SMILES for [(2S)-5-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-dipropylazanium chloride is CCC[NH+](CCC)[C@H]1CCc2c(cccc2-c2ccccc2)C1.[Cl-].
What is the InChIKey of [(2S)-5-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-dipropylazanium chloride?
The InChIKey is VXQJFGDTOXXUOZ-BDQAORGHSA-N. The full InChI is InChI=1S/C22H29N.ClH/c1-3-15-23(16-4-2)20-13-14-22-19(17-20)11-8-12-21(22)18-9-6-5-7-10-18;/h5-12,20H,3-4,13-17H2,1-2H3;1H/t20-;/m0./s1.
What are the key properties of [(2S)-5-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-dipropylazanium chloride?
[(2S)-5-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-dipropylazanium chloride has a molecular weight of 343.94 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-dipropylazanium chloride is sourced from PubChem (CID 11186984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).