N-benzhydrylmethanimine

C14H12N- — CID 164737969

IUPACN-benzhydrylmethanimine
SMILES[H]/[C-]=N/C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12N/c1-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h1-11,14H/q-1
InChIKeyHLLQFHFXMHOCBF-UHFFFAOYSA-N
MW194.26 g/mol
LogP3.35
Rot. Bonds3

About N-benzhydrylmethanimine

N-benzhydrylmethanimine (PubChem CID 164737969) has the molecular formula C14H12N- and a molecular weight of 194.26 g/mol. Its IUPAC name is N-benzhydrylmethanimine.

Molecular Properties

Compound NameN-benzhydrylmethanimine
PubChem CID164737969
Molecular FormulaC14H12N-
Molecular Weight194.26 g/mol
Exact Mass194.10
IUPAC NameN-benzhydrylmethanimine
SMILES[H]/[C-]=N/C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12N/c1-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h1-11,14H/q-1
InChIKeyHLLQFHFXMHOCBF-UHFFFAOYSA-N
XLogP3.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,4-bis[nitroso(phenyl)methyl]benzene
CID 54419533
N-phenylmethanimine;rubidium(1+)
CID 89062008
diazenyl(phenyl)methanol
CID 173253915
[azido(phenyl)methyl]benzene;molecular hydrogen
CID 167689776
lithium benzhydrylbenzene
CID 18381038
azane;benzhydrylbenzene
CID 70581647
N-benzhydryl-1-cyclopropylmethanimine
CID 53415200
dichlororuthenium;1-phenylprop-2-enylbenzene
CID 175974276
[phenyl(thiophosphoroso)methyl]benzene
CID 57154658
benzhydrylalumane
CID 146889225
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918

Frequently Asked Questions

What is the IUPAC name of N-benzhydrylmethanimine?
The IUPAC name of N-benzhydrylmethanimine (CID 164737969) is N-benzhydrylmethanimine.
What is the SMILES notation for N-benzhydrylmethanimine?
The canonical SMILES for N-benzhydrylmethanimine is [H]/[C-]=N/C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydrylmethanimine?
The InChIKey is HLLQFHFXMHOCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N/c1-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h1-11,14H/q-1.
What are the key properties of N-benzhydrylmethanimine?
N-benzhydrylmethanimine has a molecular weight of 194.26 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydrylmethanimine is sourced from PubChem (CID 164737969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).