[(S)-(4-methylphenyl)-phenylmethyl]azanium

C14H16N+ — CID 7127648

IUPAC[(S)-(4-methylphenyl)-phenylmethyl]azanium
SMILESCc1ccc([C@@H]([NH3+])c2ccccc2)cc1
InChIInChI=1S/C14H15N/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10,14H,15H2,1H3/p+1/t14-/m0/s1
InChIKeyUHPQFNXOFFPHJW-AWEZNQCLSA-O
MW198.29 g/mol
LogP2.33
Rot. Bonds2

About [(S)-(4-methylphenyl)-phenylmethyl]azanium

[(S)-(4-methylphenyl)-phenylmethyl]azanium (PubChem CID 7127648) has the molecular formula C14H16N+ and a molecular weight of 198.29 g/mol. Its IUPAC name is [(S)-(4-methylphenyl)-phenylmethyl]azanium.

Molecular Properties

Compound Name[(S)-(4-methylphenyl)-phenylmethyl]azanium
PubChem CID7127648
Molecular FormulaC14H16N+
Molecular Weight198.29 g/mol
Exact Mass198.13
IUPAC Name[(S)-(4-methylphenyl)-phenylmethyl]azanium
SMILESCc1ccc([C@@H]([NH3+])c2ccccc2)cc1
InChIInChI=1S/C14H15N/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10,14H,15H2,1H3/p+1/t14-/m0/s1
InChIKeyUHPQFNXOFFPHJW-AWEZNQCLSA-O
XLogP2.33
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

cumene;ethane;methane;1-methyl-4-propan-2-ylbenzene
CID 159265894
(4-methylphenyl)-phenylmethanesulfonic acid
CID 22237748
N,N-dimethyl-1-(4-methylphenyl)-1-phenylmethanamine
CID 102196523
benzene;bis(1,4-xylene)
CID 159472747
[(2-methoxy-4-methylphenyl)-phenylmethyl]azanium chloride
CID 121438246
[(S)-(3,4-dimethoxyphenyl)-(4-methylphenyl)methyl]azanium
CID 7183177
1-methyl-4-[[4-[(4-methylphenyl)-phenylmethyl]cyclohexyl]-phenylmethyl]benzene
CID 169434588
radon;toluene;1,4-xylene
CID 174747246
benzene;toluene
CID 158487474
methylcyclotriacontapentadecaene
CID 101240530
titanium(2+);toluene
CID 22023820
N-[(4-methylphenyl)-phenylmethyl]ethanamine
CID 43389847

Frequently Asked Questions

What is the IUPAC name of [(S)-(4-methylphenyl)-phenylmethyl]azanium?
The IUPAC name of [(S)-(4-methylphenyl)-phenylmethyl]azanium (CID 7127648) is [(S)-(4-methylphenyl)-phenylmethyl]azanium.
What is the SMILES notation for [(S)-(4-methylphenyl)-phenylmethyl]azanium?
The canonical SMILES for [(S)-(4-methylphenyl)-phenylmethyl]azanium is Cc1ccc([C@@H]([NH3+])c2ccccc2)cc1.
What is the InChIKey of [(S)-(4-methylphenyl)-phenylmethyl]azanium?
The InChIKey is UHPQFNXOFFPHJW-AWEZNQCLSA-O. The full InChI is InChI=1S/C14H15N/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12/h2-10,14H,15H2,1H3/p+1/t14-/m0/s1.
What are the key properties of [(S)-(4-methylphenyl)-phenylmethyl]azanium?
[(S)-(4-methylphenyl)-phenylmethyl]azanium has a molecular weight of 198.29 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-(4-methylphenyl)-phenylmethyl]azanium is sourced from PubChem (CID 7127648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).