2-benzhydryl-6-fluoro-4-methylaniline

C20H18FN — CID 155907051

IUPAC2-benzhydryl-6-fluoro-4-methylaniline
SMILESCc1cc(F)c(N)c(C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H18FN/c1-14-12-17(20(22)18(21)13-14)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,19H,22H2,1H3
InChIKeyURLBIPPWEZPDFO-UHFFFAOYSA-N
MW291.37 g/mol
LogP4.90
Rot. Bonds3

About 2-benzhydryl-6-fluoro-4-methylaniline

2-benzhydryl-6-fluoro-4-methylaniline (PubChem CID 155907051) has the molecular formula C20H18FN and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-benzhydryl-6-fluoro-4-methylaniline.

Molecular Properties

Compound Name2-benzhydryl-6-fluoro-4-methylaniline
PubChem CID155907051
Molecular FormulaC20H18FN
Molecular Weight291.37 g/mol
Exact Mass291.14
IUPAC Name2-benzhydryl-6-fluoro-4-methylaniline
SMILESCc1cc(F)c(N)c(C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H18FN/c1-14-12-17(20(22)18(21)13-14)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,19H,22H2,1H3
InChIKeyURLBIPPWEZPDFO-UHFFFAOYSA-N
XLogP4.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-6-fluoro-4-methylaniline?
The IUPAC name of 2-benzhydryl-6-fluoro-4-methylaniline (CID 155907051) is 2-benzhydryl-6-fluoro-4-methylaniline.
What is the SMILES notation for 2-benzhydryl-6-fluoro-4-methylaniline?
The canonical SMILES for 2-benzhydryl-6-fluoro-4-methylaniline is Cc1cc(F)c(N)c(C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-benzhydryl-6-fluoro-4-methylaniline?
The InChIKey is URLBIPPWEZPDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN/c1-14-12-17(20(22)18(21)13-14)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,19H,22H2,1H3.
What are the key properties of 2-benzhydryl-6-fluoro-4-methylaniline?
2-benzhydryl-6-fluoro-4-methylaniline has a molecular weight of 291.37 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-6-fluoro-4-methylaniline is sourced from PubChem (CID 155907051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).