trimethyl-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium

C19H24N+ — CID 10046074

IUPACtrimethyl-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium
SMILESC[N+](C)(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H24N/c1-20(2,3)17-13-16-11-7-8-12-18(16)19(14-17)15-9-5-4-6-10-15/h4-12,17,19H,13-14H2,1-3H3/q+1/t17-,19-/m1/s1
InChIKeyDDJVCQZXVDKEPP-IEBWSBKVSA-N
MW266.41 g/mol
LogP3.84
Rot. Bonds2

About trimethyl-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium

trimethyl-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium (PubChem CID 10046074) has the molecular formula C19H24N+ and a molecular weight of 266.41 g/mol. Its IUPAC name is trimethyl-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium.

Molecular Properties

Compound Nametrimethyl-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium
PubChem CID10046074
Molecular FormulaC19H24N+
Molecular Weight266.41 g/mol
Exact Mass266.19
IUPAC Nametrimethyl-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium
SMILESC[N+](C)(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H24N/c1-20(2,3)17-13-16-11-7-8-12-18(16)19(14-17)15-9-5-4-6-10-15/h4-12,17,19H,13-14H2,1-3H3/q+1/t17-,19-/m1/s1
InChIKeyDDJVCQZXVDKEPP-IEBWSBKVSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium?
The IUPAC name of trimethyl-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium (CID 10046074) is trimethyl-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium.
What is the SMILES notation for trimethyl-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium?
The canonical SMILES for trimethyl-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium is C[N+](C)(C)[C@@H]1Cc2ccccc2[C@@H](c2ccccc2)C1.
What is the InChIKey of trimethyl-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium?
The InChIKey is DDJVCQZXVDKEPP-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H24N/c1-20(2,3)17-13-16-11-7-8-12-18(16)19(14-17)15-9-5-4-6-10-15/h4-12,17,19H,13-14H2,1-3H3/q+1/t17-,19-/m1/s1.
What are the key properties of trimethyl-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium?
trimethyl-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium has a molecular weight of 266.41 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]azanium is sourced from PubChem (CID 10046074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).